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| | 2-Chloro-N-methylacetamide Basic information |
| Product Name: | 2-Chloro-N-methylacetamide | | Synonyms: | OTAVA-BB BB7020410071;N-METHYL-2-CHLOROACETAMIDE;chloroacetylmethylamide;2-CHLORO-N-METHYLACETAMIDE;2-chloro-n-methyl-acetamid;Acetamide, 2-chloro-N-methyl-;alpha-Chloro-N-methylacetamide;USAF do-35 | | CAS: | 96-30-0 | | MF: | C3H6ClNO | | MW: | 107.54 | | EINECS: | 202-497-1 | | Product Categories: | Acids and Derivatives | | Mol File: | 96-30-0.mol |  |
| | 2-Chloro-N-methylacetamide Chemical Properties |
| Melting point | 38-40°C | | Boiling point | 112-115°C 20mm | | density | 1.127±0.06 g/cm3(Predicted) | | storage temp. | Keep in dark place,Sealed in dry,Room Temperature | | solubility | DMSO (Slightly), Methanol (Slightly) | | form | Solid | | pka | 14.38±0.46(Predicted) | | color | White to Off-White | | InChI | InChI=1S/C3H6ClNO/c1-5-3(6)2-4/h2H2,1H3,(H,5,6) | | InChIKey | HOZLOOPIXHWKCI-UHFFFAOYSA-N | | SMILES | C(NC)(=O)CCl | | CAS DataBase Reference | 96-30-0(CAS DataBase Reference) | | NIST Chemistry Reference | ClCON(CH3)2(96-30-0) |
| Risk Statements | 36/37/38-43-22 | | Safety Statements | 26-36/37/39-36/37-24 | | WGK Germany | WGK 3 | | RTECS | AB5775000 | | HazardClass | IRRITANT | | HS Code | 29241990 | | Storage Class | 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | | Hazard Classifications | Acute Tox. 3 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | 2-Chloro-N-methylacetamide Usage And Synthesis |
| Uses | 2-Chloro-N-methylacetamide is an intermediate used to prepare piperidinylamino pyrrolopyrimidines as selective Janus kinase inhibitors for the treatment of autoimmune diseases and organ transplant rejection. | | Synthesis | To methylamine hydrochloride (896 mg, 13.3 mmol) and Na2C03 (5630 mg, 53 mmol) in water (26 mL) was added 2-chloroacetyl chloride (1500 mg, 13.3 mmol). The mixture was stirred at r.t. for lh and extracted with EtOAc (2x). The combined organic layers were dried over Na2S04 and concentrated to provide 2-Chloro-N-methylacetamide (1200 mg, 84%). | | References | [1] Journal of the Chemical Society. Perkin Transactions 2, 2000, # 9, p. 1819 - 1831
[2] Patent: WO2016/210330, 2016, A1. Location in patent: Paragraph 0180-0181
[3] Journal of the Chemical Society. Perkin Transactions 1, 2001, # 1, p. 87 - 93 |
| | 2-Chloro-N-methylacetamide Preparation Products And Raw materials |
| Raw materials | Acetamide, N,2-dichloro-N-methyl--->Butanamide, 2,2,3,3,4,4,4-heptafluoro-N-methyl--->2-Chloro-N,N-diethylacetamide-->Methylamine hydrochloride-->Methylamine-->Sodium carbonate-->Methyl chloroacetate-->1-Dodecene-->Chloroacetyl chloride-->Ethyl chloroacetate | | Preparation Products | Omethoate-->N-Methyl-2-piperazin-1-ylacetamide-->2-Dimethylamino-N-methyl-acetamide |
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