2-Chloropropionylglycine

Base Information

• Chemical Name: 2-Chloropropionylglycine
• CAS No.: 85038-45-5
• Molecular Formula: C5H8ClNO3
• Molecular Weight: 165.576
• Hs Code.: 2924199090
• DSSTox Substance ID: DTXSID90607401
• Nikkaji Number: J21.927D
• Mol file: 85038-45-5.mol

Synonyms:2-Chloropropionylglycine;85038-45-5;2-(2-Chloropropanamido)acetic acid;N-(2-Chloro-1-oxopropyl)glycine;Glycine,N-(2-chloro-1-oxopropyl)-;2-(2-chloropropanoylamino)acetic acid;MFCD09033216;2-Chloropropanylglycine;N-(2-Chloropropionyl)glycine;Tiopronin Impuriy 1;Glycine, N-(2-chloro-1-oxopropyl)-;YSWG283;N-(2-Chloropropanoyl)glycine;N-(beta-chloropropanoyl)glycine;SCHEMBL11051796;DTXSID90607401;UBXUBYOEZMEUPZ-UHFFFAOYSA-N;2-(2-Chloropropanamido)aceticacid;AMY10265;AC6938;AKOS015967233;(2-CHLOROPROPANAMIDO)ACETIC ACID;DS-13342;SY129805;CS-0161354;A841070;2-(2-fluoropropanoylamino)acetic acid

Chemical Property of 2-Chloropropionylglycine

Chemical Property:

• Vapor Pressure: 1.43E-07mmHg at 25°C
• Melting Point: 104-106 °C
• Refractive Index: 1.482
• Boiling Point: 401.5 °C at 760 mmHg
• Flash Point: 196.6 °C
• PSA: 66.40000
• Density: 1.341 g/cm³
• LogP: 0.20540
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 165.0192708
• Heavy Atom Count: 10
• Complexity: 148

Purity/Quality:

98% ^*data from raw suppliers

N-(2-Chloro-1-oxopropyl)glycine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)NCC(=O)O)Cl
• Uses: N-(2-Chloro-1-oxopropyl)glycine (Tiopronin Impuriy 1) is an impurity of Tiopronin (T444782), which is used as an antidote against heavy metal poisoning.

Technology Process of 2-Chloropropionylglycine

There total 3 articles about 2-Chloropropionylglycine 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:

2-chloropropionyl chloride (7623-09-8) + glycine (56-40-6,18875-39-3,25718-94-9) → 2-chloropropionylglycine (85038-45-5)

Guidance literature:

With aqueous alkali;

Reference yield:

(S)-2-chloropropionyl chloride (70110-24-6) + glycine (56-40-6,18875-39-3,25718-94-9) → N-((S)-2-chloro-propionyl)-glycine (85038-45-5)

Guidance literature:

With aqueous alkali;

DOI:10.1021/ja01652a057

Reference yield:

(R)-(-)-2-chloropropionyl chloride (70110-25-7) + glycine (56-40-6,18875-39-3,25718-94-9) → N-((R)-2-chloro-propionyl)-glycine (85038-45-5)

Guidance literature:

With aqueous alkali;

DOI:10.1021/ja01652a057

upstream raw materials:

(S)-2-chloropropionyl chloride

glycine

(R)-(-)-2-chloropropionyl chloride

2-chloropropionyl chloride

Downstream raw materials:

tiopronin

N-(2-mercaptopropionyl)glycine