Propargyl chloroformate

Base Information

• Chemical Name: Propargyl chloroformate
• CAS No.: 35718-08-2
• Molecular Formula: C4H3 Cl O2
• Molecular Weight: 118.52
• Hs Code.: 2915900090
• European Community (EC) Number: 629-050-7
• DSSTox Substance ID: DTXSID20391745
• Nikkaji Number: J1.036.019F
• Mol file: 35718-08-2.mol

Synonyms:Propargyl chloroformate;35718-08-2;prop-2-ynyl carbonochloridate;prop-2-yn-1-yl carbonochloridate;chloro(prop-2-yn-1-yloxy)methanone;2-propynyl chloroformate;Prop-2-ynyl Chloroformate;Carbonochloridic acid, 2-propynyl ester;Propargyl chloroformate, 96%;SCHEMBL585989;chloroformic acid propargyl ester;AMY3955;DTXSID20391745;RAMTXCRMKBFPRG-UHFFFAOYSA-N;BBL028473;STL373497;AKOS015915396;carbonochloridic acid prop-2-ynyl ester;VS-08788;FT-0650680;EN300-220154;F87930;A822954;Propargyl chloroformate, technical, >=90% (GC)

Chemical Property of Propargyl chloroformate

Chemical Property:

• Vapor Pressure: 0.65 psi ( 20 °C)
• Refractive Index: n20/D 1.435(lit.)
• Boiling Point: 118-122 °C(lit.)
• Flash Point: 30 °C
• PSA: 26.30000
• Density: 1.215 g/mL at 25 °C(lit.)
• LogP: 0.99500
• Storage Temp.: 2-8°C
• Solubility.: Chloroform
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 117.9821570
• Heavy Atom Count: 7
• Complexity: 110

Purity/Quality:

99.9% ^*data from raw suppliers

Propargyl chloroformate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 10-22-23/24-34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C#CCOC(=O)Cl
• Uses: Propargyl chloroformate can be utilized as a linker for various screening applications.

Technology Process of Propargyl chloroformate

There total 7 articles about Propargyl chloroformate 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: 95.0%

diethylamine (109-89-7) → propargyl N,N-diethylcarbamate (91503-56-9) + propargyl chloroformate (35718-08-2)

Guidance literature:

In benzene;

Reference yield: 81.8%

phosgene (75-44-5) + propargyl alcohol (107-19-7) → β-propoxyethyl 4-N,N-diethylcarbamoyloxy-2-butynoate + propargyl chloroformate (35718-08-2)

Guidance literature:

In diethyl ether;

Reference yield: 70.0%

propargyl alcohol (107-19-7) + trichloromethyl chloroformate (503-38-8) → propargyl chloroformate (35718-08-2)

Guidance literature:

With triethylamine; In diethyl ether;

DOI:10.1002/(SICI)1099-0690(200003)2000:6<1007::AID-EJOC1007>3.0.CO;2-I

upstream raw materials:

phosgene

propargyl alcohol

bis(trichloromethyl) carbonate

trichloromethyl chloroformate

Downstream raw materials:

((prop-2-yn-1-yloxy)carbonyl)-L-phenylalanine

Poc-Phg-OH

pyrrolidine-1-carboxylic acid prop-2-ynyl ester

di(prop-2-ynyl) piperazine-1,4-dicarboxylate

Refernces

• 1、 Mannuthodikayil, Jamsad,Singh, Sameer,Biswas, Anamika,Kar, Abhisek,Tabassum, Wahida,Vydyam, Pratap,Bhattacharyya, Mrinal Kanti,Mandal, Kalyaneswar. "Benzimidazolinone-Free Peptide o-Aminoanilides for Chemical Protein Synthesis". supporting information. p. 9040 - 9044. Retrieved 2019/11/14.
• 2、 Zhou, Junliang,Zhang, Jian,Ren, Hang,Dong, Xiaochun,Zheng, Xing,Zhao, Weili. "A Turn-On Fluorescent Probe for Highly Selective and Sensitive Detection of Palladium". supporting information. p. 715 - 719. Retrieved 2016/07/22.