2-(tert-butoxycarbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid
- CAS No.
- 851784-82-2
- Chemical Name:
- 2-(tert-butoxycarbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid
- Synonyms
- 5,7-Dichloro-3,4-dihydro-2,6(1H)-isoquinolinedicarboxylic acid 2-(1,1-dimethylethyl) ester;LifitegrastImpurity40;Lifitegrast intermediate;-(Tert-Butoxycarbonyl-5,7-Dichloro-1,2,3,4-T..;2-(Tert-Butoxycarbonyl)-5,7-Dichloro-1,2,3,4-Tetrahydroisoqu...;2-Boc-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic Acid;N-Boc- 5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid;2-(tert-butoxycarbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid;2,6(1H)-Isoquinolinedicarboxylic acid, 5,7-dichloro-3,4-dihydro-, 2-(1,1-dimethylethyl) ester;5,7-dichloro-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid
- CBNumber:
- CB42995940
- Molecular Formula:
- C15H17Cl2NO4
- Molecular Weight:
- 346.21
- MOL File:
- 851784-82-2.mol
- Modify Date:
- 2023/11/3 14:46:35
Boiling point | 468.5±45.0 °C(Predicted) |
---|---|
Density | 1.379±0.06 g/cm3(Predicted) |
storage temp. | Sealed in dry,Room Temperature |
solubility | Chloroform (Sparingly, Sonicated), Methanol (Slightly) |
pka | 1.87±0.20(Predicted) |
form | Solid |
color | White to Off-White |
InChI | InChI=1S/C15H17Cl2NO4/c1-15(2,3)22-14(21)18-5-4-9-8(7-18)6-10(16)11(12(9)17)13(19)20/h6H,4-5,7H2,1-3H3,(H,19,20) |
InChIKey | JXBQRXIJBFUZMR-UHFFFAOYSA-N |
SMILES | C1C2=C(C(Cl)=C(C(O)=O)C(Cl)=C2)CCN1C(OC(C)(C)C)=O |
SAFETY
Risk and Safety Statements
Symbol(GHS) | GHS07 |
---|---|
Signal word | Warning |
Hazard statements | H302-H315-H319-H335 |
Precautionary statements | P261-P305+P351+P338 |
HS Code | 2933499090 |
2-(tert-butoxycarbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid Chemical Properties,Uses,Production
Description
2-(tert-Butoxycarbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic Acid is a carboxylic acid derivative of tetrahydroisoquinoline with a Boc group and two chlorine atoms attached to the tetrahydroisoquinoline ring. It may exhibit various biological activities, such as anticancer, anti-inflammatory, and anticonvulsant properties, depending on the nature and position of the substituents.
Synthesis
Boc-protection was used for the ring nitrogen in the intermediates 21 and 22.Compound 5 was deprotected with HC1 in dioxane to produce compound 23 in better than 97%yield. Boc-protection was introduced, using di-tert-butyl dicarbonate (1 .1 equivalent), and compound 21 was obtained in better than 95% yield. Compound 10 was coupled with compound 21 to obtain compound 22, using HATU and triethylamine in DMF. The product, compound 22, was obtained in quantitative yield, and greater than 90% purity. Deprotection with HC1 yielded the compound of Formula 12 in 97.4% yield.
2-(tert-butoxycarbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid Preparation Products And Raw materials
Supplier | Tel | Country | ProdList | Advantage | Inquiry |
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ARRKEM LIFE SCIENCES PRIVATE LIMITED | +91-8148739767 +91-8148739767 | Telangana, India | 270 | 58 | Inquiry |
ALS INDIA LIFE SCIENCES | +91-8977036379 +91-8977036379 | Hyderabad, India | 1879 | 58 | Inquiry |
A.J Chemicals | 91-9810153283 | New Delhi, India | 6124 | 58 | Inquiry |
CLEARSYNTH LABS LTD. | +91-22-45045900 | Hyderabad, India | 6351 | 58 | Inquiry |
PharmOrgSyn Laboratories Co., Ltd. | +86-021-38228826 +86-13916602830 | China | 140 | 58 | Inquiry |
Shanghai Daken Advanced Materials Co.,Ltd | +86-371-66670886 | China | 18642 | 58 | Inquiry |
Henan Tianfu Chemical Co.,Ltd. | +86-0371-55170693 +86-19937530512 | China | 21667 | 55 | Inquiry |
career henan chemical co | +86-0371-86658258 +8613203830695 | China | 29888 | 58 | Inquiry |
Accela ChemBio Inc. | +1-858-6993322 | United States | 19479 | 58 | Inquiry |
Changzhou Ditong Chemical Co.,Ltd | +86-0519-88299272 | China | 2169 | 58 | Inquiry |