Chloromethyl pivalate
- CAS No.
- 18997-19-8
- Chemical Name:
- Chloromethyl pivalate
- Synonyms
- POM;POM-CL;PIVALOYLOXYMETHYL CHLORIDE;Chloromethyl 2,2-dimethylpropanoate;CMPV;hloromethyl pivalate;Adefovir Impurity 13;chloromethylepivalate;CHLOROMETHYL PIVALATE;CHLOROMETHYL PIVARATE
- CBNumber:
- CB6171175
- Molecular Formula:
- C6H11ClO2
- Molecular Weight:
- 150.6
- MOL File:
- 18997-19-8.mol
- Modify Date:
- 2024/8/24 19:19:26
| Melting point | <-40°C |
|---|---|
| Boiling point | 146-148 °C (lit.) |
| Density | 1.045 g/mL at 25 °C (lit.) |
| refractive index |
n |
| Flash point | 104 °F |
| storage temp. | Inert atmosphere,2-8°C |
| solubility | Chloroform (Slightly), Ethyl Acetate (Sparingly) |
| form | Liquid |
| Specific Gravity | 1.038 |
| color | Clear colorless to slightly yellow |
| Water Solubility | Miscible with most organic solvents. Immiscible with water. |
| BRN | 1560838 |
| InChIKey | GGRHYQCXXYLUTL-UHFFFAOYSA-N |
| CAS DataBase Reference | 18997-19-8(CAS DataBase Reference) |
| NIST Chemistry Reference | Propanoic acid, 2,2-dimethyl-, chloromethyl ester(18997-19-8) |
| EPA Substance Registry System | Propanoic acid, 2,2-dimethyl-, chloromethyl ester (18997-19-8) |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |   GHS02,GHS07 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H226-H302+H312+H332-H315-H319-H335 | |||||||||
| Precautionary statements | P210-P280-P301+P312-P303+P361+P353-P304+P340+P312-P305+P351+P338 | |||||||||
| Hazard Codes | Xn,Xi | |||||||||
| Risk Statements | 10-20/21/22-36/37/38 | |||||||||
| Safety Statements | 16-26-36-41-36/37/39 | |||||||||
| RIDADR | UN 3272 3/PG 3 | |||||||||
| WGK Germany | 3 | |||||||||
| TSCA | Yes | |||||||||
| HazardClass | 3 | |||||||||
| PackingGroup | III | |||||||||
| HS Code | 29159000 | |||||||||
| NFPA 704 |
|
Chloromethyl pivalate price More Price(7)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich(India) | 141186 | Chloromethyl pivalate 97% | 18997-19-8 | 25G | ₹1948.5 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | 141186 | Chloromethyl pivalate 97% | 18997-19-8 | 100G | ₹5228.48 | 2022-06-14 | Buy |
| TCI Chemicals (India) | P1012 | Chloromethyl Pivalate [Amino-Protecting Agent] min. 99.0 % | 18997-19-8 | 25G | ₹2100 | 2022-05-26 | Buy |
| TCI Chemicals (India) | P1012 | Chloromethyl Pivalate [Amino-Protecting Agent] min. 99.0 % | 18997-19-8 | 100G | ₹3700 | 2022-05-26 | Buy |
| ALFA India | ALF-A11967-22 | Chloromethyl pivalate, 97% | 18997-19-8 | 100g | ₹5668 | 2022-05-26 | Buy |
Chloromethyl pivalate Chemical Properties,Uses,Production
Chemical Properties
Clear colorless to slightly yellow liquid
Uses
Chloromethyl pivalate was used in the synthesis of pivaloyloxy methyl ester of ofloxacin as prodrug. It was used as the reagent during the synthesis of an isoindoline-annulated, tricyclic sultam library via microwave-assisted, continuous-flow organic synthesis.
Application
Chloromethyl pivalate is a pharmaceutical intermediate compound used in the synthesis of active pharmaceutical ingredients. It is also involved in the acylation reaction with 9-(2-phosphonomethoxyethyl)adenine. It is used as a protecting agent for the N-protection of amines. It is also used in the preparation of thivaloyloxymethyl ester of ofloxacin as a prodrug. It is also used in the preparation of sulbactam pivoxil by reaction with the sodium salt of sulbactam. Besides, it is used as a reagent in the synthesis of isoindoline cyclic and continuous flow organic synthesis.
General Description
Chloromethyl pivalate reacts with sodium salt of sulbactam to yield sulbactam pivoxil. It undergoes acylation reaction with 9-(2-phosphonylmethoxyethyl)adenine (PMEA) to yield bis(pivaloyloxymethyl) PMEA.
Synthesis
Chloromethyl pivalate is prepared by the reaction of formaldehyd and pivaloyl chloride. The specific synthesis steps are as follows:
A mixture of pivaloyl chloride (8.56 g, 71 mmol), paraformaldehyde (2.13 g, 71 mmol) and zinc chloride (75 mg, 0.55 mmol) was stirred at 80 °C for 2 h. Purification by vacuum distillation afforded chloromethyl pivalate (41) as a colourless oil (6.29 g, 44.7 mmol, 59%). bp 80 °C/15 mmHg [lit.1 bp 80-81 °C/15 mmHg]; 1H NMR (400 MHz, CDCl3) δ 1.24 (9H, s, tBu), 5.72 (2H, s, CH2).
Chloromethyl pivalate Preparation Products And Raw materials
Raw materials
Preparation Products
1of2
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