3-Butenyl chloroformate

Base Information

• Chemical Name: 3-Butenyl chloroformate
• CAS No.: 88986-45-2
• Molecular Formula: C5H7ClO2
• Molecular Weight: 134.562
• Hs Code.: 2915900090
• European Community (EC) Number: 624-658-9
• DSSTox Substance ID: DTXSID20392010
• Wikidata: Q82189883
• Mol file: 88986-45-2.mol

Synonyms:3-Butenyl chloroformate;88986-45-2;but-3-enyl carbonochloridate;3-butenylchloroformate;Carbonochloridic acid, 3-butenyl ester;(BUT-3-EN-1-YLOXY)(CHLORO)METHANONE;but-3-en-1-yl chloroformate;SCHEMBL347510;3-Butenyl chloroformate, 98%;DTXSID20392010;EN300-6952390;InChI=1/C5H7ClO2/c1-2-3-4-8-5(6)7/h2H,1,3-4H

Chemical Property of 3-Butenyl chloroformate

Chemical Property:

• Vapor Pressure: 7.33mmHg at 25°C
• Refractive Index: n20/D 1.428(lit.)
• Boiling Point: 85-86oC8.8 mm Hg(lit.)
• Flash Point: 95 °F
• PSA: 26.30000
• Density: 1.087 g/mL at 25oC(lit.)
• LogP: 1.93790
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 134.0134572
• Heavy Atom Count: 8
• Complexity: 90.4

Purity/Quality:

99% ^*data from raw suppliers

3-BUTENYL CHLOROFORMATE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 10-23/24/25-34
• Safety Statements: 16-26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C=CCCOC(=O)Cl

Technology Process of 3-Butenyl chloroformate

There total 2 articles about 3-Butenyl 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: 56.0%

phosgene (75-44-5) + homoalylic alcohol (627-27-0) → 3-butenyl chloroformate (88986-45-2)

Guidance literature:

DOI:10.1021/ja00331a019

Reference yield:

homoalylic alcohol (627-27-0) + trichloromethyl chloroformate (503-38-8) → 3-butenyl chloroformate (88986-45-2)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 1h;

DOI:10.1246/bcsj.78.1665 DOI:10.1139/v05-099

Reference yield: 98.0%

4,5-bis(benzyloxy)-2-(tert-butyldimethylsilanyloxy)-6-methoxytetrahydropyran-3-ol (116730-42-8) + 3-butenyl chloroformate (88986-45-2) → methyl 2,3-di-O-benzyl-4-O-(3-butenyloxycarbonyl)-6-O-tert-butyldiphenylsilyl-α-D-glucopyranoside

Guidance literature:

With N,N,N,N,-tetramethylethylenediamine; In dichloromethane; at 0 - 20 ℃; for 3h;

DOI:10.1016/j.tetlet.2016.05.078

upstream raw materials:

phosgene

homoalylic alcohol

trichloromethyl chloroformate

Downstream raw materials:

3-(trichlorosilyl)propyl chloroformate

C₁₂H₁₁ClO₄

O-but-3-en-1-yl Se-phenyl selenocarbonate

3-methyl-5H-furan-2-one

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