1-(2-Chloropropanoyl)pyrrolidine

Base Information

• Chemical Name: 1-(2-Chloropropanoyl)pyrrolidine
• CAS No.: 75115-52-5
• Molecular Formula: C₇H₁₂ClNO
• Molecular Weight: 161.631
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID40390937
• Mol file: 75115-52-5.mol

Synonyms:1-(2-chloropropanoyl)pyrrolidine;75115-52-5;2-chloro-1-(pyrrolidin-1-yl)propan-1-one;2-chloro-1-pyrrolidin-1-ylpropan-1-one;SCHEMBL11837046;DTXSID40390937;MFCD03986494;STK501980;AKOS000264544;AKOS016344126;LS-03126;2-Chloro-1-(1-pyrrolidinyl)-1-propanone;UPCMLD0ENAT0517-2009:001;BB 0259276;CS-0220098;FT-0679609;EN300-05753;Z56917970;F8889-7342

Chemical Property of 1-(2-Chloropropanoyl)pyrrolidine

Chemical Property:

• Vapor Pressure: 0.0133mmHg at 25°C
• Refractive Index: 1.495
• Boiling Point: 258.9°C at 760 mmHg
• Flash Point: 110.4°C
• PSA: 20.31000
• Density: 1.16g/cm³
• LogP: 1.17400
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 161.0607417
• Heavy Atom Count: 10
• Complexity: 132

Purity/Quality:

97% ^*data from raw suppliers

1-(2-chloropropanoyl)pyrrolidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)N1CCCC1)Cl

Technology Process of 1-(2-Chloropropanoyl)pyrrolidine

There total 2 articles about 1-(2-Chloropropanoyl)pyrrolidine 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: 69.0%

pyrrolidine (123-75-1) + 2-chloropropionyl chloride (7623-09-8) → 2-chloro-1-(pyrrolidin-1-yl)propan-1-one (75115-52-5)

Guidance literature:

With triethylamine; In benzene; for 2h;

DOI:10.1055/s-1983-30487

Reference yield: 57.0%

→ 2-chloro-1-(pyrrolidin-1-yl)propan-1-one (75115-52-5)

Guidance literature:

Reference yield: 44.0%

tert-butyl (2S,3S)-3-hydroxy-2-(naphthalen-2-yl)-3-phenylpropyl(methyl)carbamate (1172111-81-7) + 2-chloro-1-(pyrrolidin-1-yl)propan-1-one (75115-52-5) → tert-butyl methyl((2S,3S)-2-(naphthalen-2-yl)-3-((R)-1-oxo-1-(pyrrolidin-1-yl)propan-2-yloxy)-3-phenylpropyl)carbamate + tert-butyl methyl((2S,3S)-2-(naphthalen-2-yl)-3-((S)-1-oxo-1-(pyrrolidin-1-yl)propan-2-yloxy)-3-phenylpropyl)carbamate

Guidance literature:

tert-butyl (2S,3S)-3-hydroxy-2-(naphthalen-2-yl)-3-phenylpropyl(methyl)carbamate; With sodium hydride; In N,N-dimethyl-formamide; for 0.166667h; Cooling with ice;

2-chloro-1-(pyrrolidin-1-yl)propan-1-one; In N,N-dimethyl-formamide; for 3h;

upstream raw materials:

pyrrolidine

2-chloropropionyl chloride

Downstream raw materials:

N-isopropyltetrahydropyrrole

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