Diallylcarbamyl chloride

Base Information

• Chemical Name: Diallylcarbamyl chloride
• CAS No.: 25761-72-2
• Molecular Formula: C7H10 Cl N O
• Molecular Weight: 159.615
• Hs Code.: 2903299090
• European Community (EC) Number: 624-311-1
• DSSTox Substance ID: DTXSID60392574
• Nikkaji Number: J1.972.820J
• Wikidata: Q82190921
• Mol file: 25761-72-2.mol

Synonyms:Diallylcarbamyl chloride;25761-72-2;diallylcarbamic chloride;N,N-bis(prop-2-enyl)carbamoyl chloride;N,N-BIS(PROP-2-EN-1-YL)CARBAMOYL CHLORIDE;diallylcarbamicchloride;diallylcarbamoyl chloride;diallylcarbamic acid chloride;n,n-diallylcarbamoyl chloride;SCHEMBL692534;Diallylcarbamyl chloride, 97%;DTXSID60392574;MGQPJLWKFQNTOZ-UHFFFAOYSA-N;MFCD02093718;AKOS022463789;N,N-di-2-propen-1-yl-carbamic chloride;D80828;EN300-6739665;J-016122

Chemical Property of Diallylcarbamyl chloride

Chemical Property:

• Vapor Pressure: 0.0862mmHg at 25°C
• Refractive Index: n20/D 1.48(lit.)
• Boiling Point: 214-220 °C(lit.)
• Flash Point: 86 °C
• PSA: 20.31000
• Density: 1.069 g/mL at 25 °C(lit.)
• LogP: 2.01920
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 159.0450916
• Heavy Atom Count: 10
• Complexity: 135

Purity/Quality:

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

Diallylcarbamyl chloride 97% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Diallylcarbamyl chloride

There total 6 articles about Diallylcarbamyl 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:

diallylamine (124-02-7) → N,N-diallylcarbamoyl chloride (25761-72-2)

Guidance literature:

In ethyl acetate;

Reference yield:

bis(trichloromethyl) carbonate (32315-10-9) + diallylamine (124-02-7) → N,N-diallylcarbamoyl chloride (25761-72-2)

Guidance literature:

With triethylamine; In dichloromethane; at -10 - 20 ℃; for 12.83h;

DOI:10.1039/c5md00577a

Reference yield:

diallylamine (124-02-7) + trichloromethyl chloroformate (503-38-8) → N,N-diallylcarbamoyl chloride (25761-72-2)

Guidance literature:

With pyrographite; In toluene; Heating;

upstream raw materials:

phosgene

diallylamine

trichloromethyl chloroformate

bis(trichloromethyl) carbonate

Downstream raw materials:

N,N-diallyl-5-benzyl-1,3-dihydro-2,2,4-trioxo-5H-thieno[3,4-c]pyridin-3-carboxamide

5-chloro-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid diallylamide

C₄₁H₅₆N₆O₆

N-Diallylcarbamoyl-N'-p-nitrophenyl-thioharnstoff

Refernces

• 1、 Kiec-Kononowicz,Wiecek,Sasse,Ligneau,Elz,Ganellin,Schwartz,Stark,Schunack. "Importance of the lipophilic group in carbamates having histamine H3- receptor antagonist activity". . p. 349 - 355. Retrieved 2007/10/03.
• 2、 -. "S-p-methoxyphenyl N,N-diallylthiolcarbamate and S-p-methoxyphenyl N,N-bis(2,3-dibromopropyl)thiolcarbamate". . . Retrieved 2008/06/13.