1-Pyrrolidinecarbonyl chloride

Base Information

• Chemical Name: 1-Pyrrolidinecarbonyl chloride
• CAS No.: 1192-63-8
• Molecular Formula: C5H8ClNO
• Molecular Weight: 133.578
• Hs Code.: 29339980
• European Community (EC) Number: 214-758-7
• UNII: FE96J4NEA6
• DSSTox Substance ID: DTXSID9061596
• Nikkaji Number: J203.458A
• Wikidata: Q81989550
• Mol file: 1192-63-8.mol

Synonyms:1-Pyrrolidinecarbonyl chloride;1192-63-8;pyrrolidine-1-carbonyl chloride;1-Pyrrolidinecarbonylchloride;pyrrolidinecarbonyl chloride;1-pyrrolidinylcarbonyl chloride;EINECS 214-758-7;C5H8ClNO;pyrrolidine-1-carbonylchloride;1-pyrrolidine carbonyl chloride;pyrrolidinocarbonyl chloride;1pyrrolidinecarbonyl chloride;pyrrolidine carbonyl chloride;FE96J4NEA6;1-pyrrolidine carbonylchloride;SCHEMBL134037;1-pyrolidine carbonyl chloride;pyrrolidine-N-carbonyl chloride;AMY737;DTXSID9061596;1-Pyrrolidinecarbonyl chloride, 97%;GEO-03780;MFCD00051321;AKOS015919396;GS-5943;FT-0608300;H10853;EN300-1073103;A804235;J-640172;J-800174

Chemical Property of 1-Pyrrolidinecarbonyl chloride

Chemical Property:

• Appearance/Colour: clear to light yellow clear liquid
• Vapor Pressure: 0.00269mmHg at 25°C
• Refractive Index: n20/D 1.493(lit.)
• Boiling Point: 219.948 °C at 760 mmHg
• PKA: -1.85±0.20(Predicted)
• Flash Point: 86.822 °C
• PSA: 20.31000
• Density: 1.261 g/cm³
• LogP: 1.37890
• Storage Temp.: Freezer (-20°C)
• Sensitive.: Moisture Sensitive
• Water Solubility.: It reacts with water.
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 133.0294416
• Heavy Atom Count: 8
• Complexity: 98.6

Purity/Quality:

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

1-Pyrrolidinecarbonyl chloride 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-27-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(C1)C(=O)Cl
• Uses: 1-Pyrrolidinecarbonyl chloride was used in the synthesis of (S)-4-(2-(((benzyloxy)carbonyl)amino)-3-methoxy-3-oxopropyl)phenyl pyrrolidine-1-carboxylate.

Technology Process of 1-Pyrrolidinecarbonyl chloride

There total 6 articles about 1-Pyrrolidinecarbonyl chloride 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: 64.0%

ethyl pyrrolidine-1-carboxylate (5470-26-8) → 1-pyrrolidinecarbonyl chloride (1192-63-8)

Guidance literature:

With trichlorophosphate; In acetonitrile; for 2h; Heating;

Reference yield: 58.0%

N-(methoxycarbonyl)pyrrolidine (56475-80-0) → 1-pyrrolidinecarbonyl chloride (1192-63-8)

Guidance literature:

With trichlorophosphate; In acetonitrile; for 2h; Heating;

Reference yield: 55.2%

pyrrolidine (123-75-1) + bis(trichloromethyl) carbonate (32315-10-9) → 1-pyrrolidinecarbonyl chloride (1192-63-8)

Guidance literature:

With sodium hydrogencarbonate; In dichloromethane; at 0 - 5 ℃;

DOI:10.1016/j.jics.2021.100165

upstream raw materials:

pyrrolidine

phosgene

ethyl pyrrolidine-1-carboxylate

N-(methoxycarbonyl)pyrrolidine

Downstream raw materials:

(R)-(+)-1-pyrrolidine

tert-butyl (S)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate

N-{4-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrazol-3-yl]phenyl}-1-pyrrolidinecarboxamide

(4-(4-bromophenyl)-1H-1,2,3-triazol-1-yl)(pyrrolidin-1-yl)methanone

Refernces

• 1、 -. "Cannabidiol carbamate compound, pharmaceutical preparation, preparation method and application". Paragraph 0071-0075. . Retrieved 2021/01/30.
• 2、 Jiang, Xia,Liu, Xin-Hua,Shi, Jingbo,Tang, Wenjian,Wang, Sheng,Wu, Chengyao,Xu, Yingying,Zha, Liang,Zhang, Jing,Zhang, Ziwen,Zuo, Jiawei. "Novel cannabidiol?carbamate hybrids as selective BuChE inhibitors: Docking-based fragment reassembly for the development of potential therapeutic agents against Alzheimer's disease". . . Retrieved 2021/08/10.