Benzyl but-3-EN-1-ylcarbamate

Base Information

• Chemical Name: Benzyl but-3-EN-1-ylcarbamate
• CAS No.: 132547-64-9
• Molecular Formula: C12H15NO2
• Molecular Weight: 205.257
• DSSTox Substance ID: DTXSID50563014
• Nikkaji Number: J2.277.017I
• Wikidata: Q82447354

Synonyms:BENZYL BUT-3-EN-1-YLCARBAMATE;132547-64-9;benzyl N-but-3-enylcarbamate;Benzyl but-3-enylcarbamate;N-(3-butenyl) benzyl carbamate;SCHEMBL485753;SCHEMBL13341457;DTXSID50563014;XPGHTZGJSXLLAF-UHFFFAOYSA-N;MFCD22690008;BENZYLBUT-3-EN-1-YLCARBAMATE;AKOS027251332;but-3-enyl-carbamic acid benzyl ester;AS-38733;BENZYL N-(BUT-3-EN-1-YL)CARBAMATE;CS-0267307;EN300-6947149

Chemical Property of Benzyl but-3-EN-1-ylcarbamate

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 205.110278721
• Heavy Atom Count: 15
• Complexity: 198

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCCNC(=O)OCC1=CC=CC=C1

Technology Process of Benzyl but-3-EN-1-ylcarbamate

There total 6 articles about Benzyl but-3-EN-1-ylcarbamate 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: 89.0%

5-propyl-benzo[1,3]dioxol-2-one + 3-butene-1-amine (2524-49-4) + benzyl alcohol (100-51-6,185532-71-2) → N-(3-butenyl) benzyl carbamate (132547-64-9)

Guidance literature:

5-propyl-benzo[1,3]dioxol-2-one; benzyl alcohol; With zinc(II) acetate dihydrate; at 50 ℃; for 16h; Sealed tube;

3-butene-1-amine; In 2-methyltetrahydrofuran; at 25 ℃; for 16h; Sealed tube;

DOI:10.1002/cssc.201900406

Reference yield: 81.0%

but-3-en-1-amine hydrochloride (17875-18-2) + benzyl chloroformate (501-53-1,94274-21-2) → N-(3-butenyl) benzyl carbamate (132547-64-9)

Guidance literature:

With potassium carbonate; In dichloromethane; water; at 0 - 22 ℃; for 16h;

DOI:10.1021/acs.jmedchem.0c01303

Reference yield: 75.0%

but-3-ene-1-amine hydrobromide (1029033-63-3) + benzyl chloroformate (501-53-1,94274-21-2) → N-(3-butenyl) benzyl carbamate (132547-64-9)

Guidance literature:

With potassium carbonate; In dichloromethane; water; at 0 - 20 ℃; for 14.25h; Inert atmosphere;

upstream raw materials:

but-3-en-1-amine hydrochloride

benzyl chloroformate

3-butene-1-amine

but-3-ene-1-amine hydrobromide

Downstream raw materials:

benzyl but-3-en-1-yl(2-oxopent-3-en-1-yl)carbamate

C₁₃H₁₅NO₅

{2-[(rac)-3-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-2-oxo-oxazolidin-5-yl]-ethyl}-carbamic acid benzyl ester

[(rac)-4-(2,3-dihydro-benzo[1,4]dioxin-6-ylamino)-3-hydroxy-butyl]-carbamic acid benzyl ester

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