3-Chloropropionamide

Base Information

• Chemical Name: 3-Chloropropionamide
• CAS No.: 5875-24-1
• Molecular Formula: C3H6ClNO
• Molecular Weight: 107.54
• Hs Code.: 2924199090
• European Community (EC) Number: 227-542-2
• NSC Number: 401789
• UNII: 1A4DT52KJV
• DSSTox Substance ID: DTXSID70974269
• Nikkaji Number: J223B
• Wikidata: Q82958489
• ChEMBL ID: CHEMBL171266
• Mol file: 5875-24-1.mol

Synonyms:3-chloropropionamide;chloropropionamide

Chemical Property of 3-Chloropropionamide

Chemical Property:

• Vapor Pressure: 0.00268mmHg at 25°C
• Melting Point: 98-101 °C (lit.)
• Refractive Index: 1.452
• Boiling Point: 286.2 °C at 760 mmHg
• PKA: 15.92±0.40(Predicted)
• Flash Point: 126.9 °C
• PSA: 43.09000
• Density: 1.191 g/cm³
• LogP: 0.80090
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 107.0137915
• Heavy Atom Count: 6
• Complexity: 54.8

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Chloropropanamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(CCl)C(=O)N
• Uses: 3-Chloropropionamide was used as alkylating agent in the synthesis of 1-(2-carbamoyl-ethyl)indole-3-acetic acid.

Technology Process of 3-Chloropropionamide

There total 12 articles about 3-Chloropropionamide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 92.0%

t-butyl beta-chloropropionylcarbamate (120158-04-5) → 3-chloropropionamide (5875-24-1)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; for 1h; Ambient temperature;

Reference yield: 28.0%

3,N-Dichlorpropionamid (52176-00-8) → 3-chloropropionamide (5875-24-1) + 3-Chloro-N-((1S,2R)-2-chloro-cyclohexyl)-propionamide (23546-97-6,78162-79-5,78162-85-3) + 3-Chloro-N-((1S,2S)-2-chloro-cyclohexyl)-propionamide (23546-97-6,78162-79-5,78162-85-3)

Guidance literature:

With cyclohexene; In dichloromethane; at 15 - 20 ℃; for 3h; Yields of byproduct given; Irradiation;

Reference yield: 28.0%

3,N-Dichlorpropionamid (52176-00-8) + cyclohexene (110-83-8) → 3-chloropropionamide (5875-24-1) + 3-Chloro-N-((1S,2R)-2-chloro-cyclohexyl)-propionamide (23546-97-6,78162-79-5,78162-85-3) + 3-Chloro-N-((1S,2S)-2-chloro-cyclohexyl)-propionamide (23546-97-6,78162-79-5,78162-85-3)

Guidance literature:

In dichloromethane; at 15 - 20 ℃; for 3h; Yield given. Yields of byproduct given; Irradiation;

upstream raw materials:

Methyl 3-chloropropionimidate hydrochloride

3-chloropropionimidic acid methyl ester

2-chloropropionyl chloride

3-Chloropropionitrile

Downstream raw materials:

3-Phenylarsanyl-propionamide

3-(4,5-diphenyl-oxazol-2-ylsulfanyl)-propionamide

3-cyanopropionamide

3-(3-Phenyl-thiazolo[5,4-e][1,2,4]triazin-6-ylsulfanyl)-propionamide