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Boceprevir InterMediates

CAS No.: 565456-77-1

Chemical Name:: Boceprevir InterMediates

Synonyms: Methyl (1r,2s,5s)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate;Methyl (1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate hydrochloride;(1R,2S,5S)-Methyl 6,6-diMethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate hydrochloride;(1R,2S,5S)-6,6-DIMETHYL-3-AZA-BICYCLO[3.1.0]HEXANE-2-CARBOXYLIC ACID METHYL ESTER HYDROCHLORIDE;(1R,2S,5S)-Methyl 6,6-diMethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate;(1R,2S,5S)—6,6-DiMethyl-3-aza-bicylo[3.1.0]hexane-2-carboxylic acid Methyl ester hydrochloride;tert-butyl ((S)-1-cyano-2-((S)-2-oxopyrrolidin-3-yl)ethyl)carbamate;(1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate hydrochloride;Boceprevir INT 1;Paxlovid Impurity 2

CBNumber:: CB12466508

Molecular Formula:: C9H16ClNO2

Molecular Weight:: 205.68

MOL File:: 565456-77-1.mol

Modify Date:: 2024/6/12 17:09:27

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Boceprevir InterMediates Properties

storage temp.	Inert atmosphere,Room Temperature
form	solid
color	Pale yellow
InChI	InChI=1/C9H15NO2.ClH/c1-9(2)5-4-10-7(6(5)9)8(11)12-3;/h5-7,10H,4H2,1-3H3;1H/t5-,6-,7-;/s3
InChIKey	FKVUDBWXNAFSPB-AUBOPKACNA-N
SMILES	C([C@H]1NC[C@@H]2C(C)(C)[C@H]12)(=O)OC.Cl \|&1:1,4,8,r\|

SAFETY

Risk and Safety Statements

Symbol(GHS)	GHS07
Signal word	Warning
Hazard statements	H302-H332-H335-H319-H315
Precautionary statements	P261-P305+P351+P338
HS Code	2933998090

Boceprevir InterMediates Chemical Properties,Uses,Production

Uses

(1S,2S,5R)-Methyl 6,6-diMethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate hydrochloride is an azabicyclohexane derivative used in the preparation of hepatitis C virus (HCV) NS3 serine protease inhibitor.

General Description

Boceprevir is a peptidomimetic protease inhibitor with four moieties, P1–P3 and a Cap, where P1 is a racemic β-aminoamide, P2 is a chiral dimethylcyclopropylproline analog, P3 is (S)-tert-leucine, and Cap is a tert-butylcarbamoyl group. The 3-azabicyclo[3.1.0]hexane structure of P2 adopts a constrained conformation, so that the gem-dimethyl group has a fixed angle with respect to the bicyclic ring structure. The incorporation of the 3-azabicyclo[3.1.0]hexane moiety results in a 1000-fold increase in NS3 protease binding over proline in a pentapeptide scaffold. When boceprevir binds to the NS3 protease, the P2 moiety interacts with four amino acid residues at the active site. The starting material for the P2 moiety is the HCl salt of the dimethylcyclopropylproline methyl ester 2. For medicinal chemistry studies, it was prepared by cyclopropanation of a Δ3-pyrroline derivative of pyroglutamic acid.

Boceprevir InterMediates Preparation Products And Raw materials

Raw materials

Preparation Products

Boceprevir InterMediates Suppliers

Global( 323)Suppliers

Supplier	Tel	Country	ProdList	Advantage	Inquiry
BTC pharm India	+918790379245	AndhraPradesh, India	1269	58	Inquiry
VIGINE BIOSCIENCES	+918897304741	Hyderabad, India	48	58	Inquiry
REAX CHEMICALS	+91-9347443900 +91-9347443900	Hyderabad, India	169	58	Inquiry
NSJ Prayog Life Sciences Private Limited	+91-6281747900 +91-6281747900	Hyderabad, India	76	58	Inquiry
Synaptics Labs Private Limited	+91-8341963666 +91-8341963666	Hyderabad, India	84	58	Inquiry
Zenfold Sustainable Technologies (ZST)	+91-9945888778 +91-9945888778	Karnataka, India	32	58	Inquiry
CLEARSYNTH LABS LTD.	+91-22-45045900	Hyderabad, India	6351	58	Inquiry
Chiral Biosciences Limited	09441920381	Mallapur, India	41	58	Inquiry
weifang runzhong fine chemical co., ltd	536-7868377 +8618653686003	China	187	58	Inquiry
Shanghai QiXin New Materials Technology Co.,Ltd	+8615116235351	China	16	58	Inquiry

Supplier	Advantage
BTC pharm India	58
VIGINE BIOSCIENCES	58
REAX CHEMICALS	58
NSJ Prayog Life Sciences Private Limited	58
Synaptics Labs Private Limited	58
Zenfold Sustainable Technologies (ZST)	58
CLEARSYNTH LABS LTD.	58
Chiral Biosciences Limited	58
weifang runzhong fine chemical co., ltd	58
Shanghai QiXin New Materials Technology Co.,Ltd	58

The side chain synthesis of boceprevir
(1R,2S,5S)-methyl 6,6-dimethyl-3-aza-bicyclo[3.1.0]hexane-2-carboxylate hydrochloride is the most expensive key intermediate i....
Feb 22，2022

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S)-3-Cyano-5-methyl hexanoic acid ethyl ester Boceprevir

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Boceprevir InterMediates (1S,2S,5R)-Methyl 6,6-diMethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate hydrochloride 3-Azabicyclo[3.1.0]hexane-2-carboxylic acid, 6,6-diMethyl-, Methyl ester, hydrochloride, (1R,2S,5S)- 3-Azabicyclo[3.1.0]hexane-2-carboxylicacid,6,6-diMethyl-,Methylester,hydrochloride(1:1),(1R,2S,5S)- (1R,2S,5S)-6,6-Dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid methyl ester HCl 1.3-Azabicyclo[3.1.0]hexane-2-carboxylic acid, 6,6-dimethyl-, methyl ester, hydrochloride(1R,2S,5S) (1R,2S,5S)-6,6-Dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate acid Methyl ester hydrochloridee (1R,2S,5S)-methyl 6,6-dimethyl-3-aza-bicyclo[3.1.0]hexane-2-... (1R,2S,5S)-methyl 6,6-dimethyl-3-aza-bicyclo[3.1.0]hexane-2-carboxylate hydrochlorid (1R,2S,5S)-Methyl 6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate HCl PF-07321332-002 Paxlovid Int. (1R,2S,5S)-6,6-DIMETHYL-3-AZA-BICYCLO[3.1.0]HEXANE-2-CARBOXYLIC ACID METHYL ESTER HYDROCHLORID PF-07321332 intermediate 6-DIMETHYL-3-AZA-BICYCLO[3.1.0]HEXANE-2-CARBOXYLIC ACID METHYL ESTER HYDROCHLORIDE 5S)-6 (1R,2S,5S)—6,6-DiMethyl-3-aza-bicylo[3.1.0]hexane-2-carboxylic acid Methyl ester hydrochloride Methyl (1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate hydrochloride (1R,2S,5S)-Methyl 6,6-diMethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate hydrochloride 3-Azabicyclo[3.1.0]hexane-2-carboxylic acid, 6,6-diMethyl-, Methyl ester, (Hydrochloride), (1R,2S,5S)- (9CI) (1R,2S,5S)-Methyl 6,6-diMethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate Boceprevir INT 1 (1R,2S,5S)-6,6-DIMETHYL-3-AZA-BICYCLO[3.1.0]HEXANE-2-CARBOXYLIC ACID METHYL ESTER HYDROCHLORIDE Nirmatrelvir Intermediate Nirmatrelvir intermediate 565456-77-1 Paxlovid Impurity 2 (1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate hydrochloride tert-butyl ((S)-1-cyano-2-((S)-2-oxopyrrolidin-3-yl)ethyl)carbamate Methyl (1r,2s,5s)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate (1R.28,5S)-6,6-DIMETHYL-3-AZA-BICYCLO[3.1.0]HEXANE-2- CARBOXYLICACID METHYL ESTER HYDRoCHLORIDE Paxlovid Intermediate 2 (1R,2S,5S)-6,6-dimethyl-3-aza-bicylo[3.1]hexane-2-carboxylic acid methyl ester hydrochloride 3-Azabicyclo[3.1.0]hexane-2-carboxylic acid, 6,6-dimethyl-, methyl ester, hydrochloride (1:1), (1R,2S,5S)- (ACI) Paxlovid Interediate Intermediate of Boprevir PF-07321332 Impurity 1 6,6-Dimethyl-3-aza-bicyclo[3.1.0]hexane-2-carboxylic acid methyl ester hydrochloride Nirmatrelvir Impurity 10 HCl Methyl (1S,2S,5R)-1,5,6,6-tetramethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate Nirmatrelvir Impurity 29 HCl 565456-77-1 Boceprevir intermediate Chiral Reagents Heterocycles Intermediates & Fine Chemicals Pharmaceuticals 565456-77-1