Carbonochloridic acid, 2-methyl-2-propenyl ester

Base Information

• Chemical Name: Carbonochloridic acid, 2-methyl-2-propenyl ester
• CAS No.: 42068-70-2
• Molecular Formula: C5H7 Cl O2
• Molecular Weight: 134.562
• Hs Code.: 2915900090
• European Community (EC) Number: 255-644-7
• DSSTox Substance ID: DTXSID0068365
• Nikkaji Number: J278.319C
• Wikidata: Q81995087
• Mol file: 42068-70-2.mol

Synonyms:Methallyl chloroformate;2-Methylallyl chloroformate;42068-70-2;Carbonochloridic acid, 2-methyl-2-propenyl ester;EINECS 255-644-7;SCHEMBL5606632;DTXSID0068365;chloroformic acid-2-methyl-2-propenyl ester;Chloridocarbonic acid 2-methyl-2-propenyl ester;Carbonochloridic acid, 2-methyl-2-propen-1-yl ester

Chemical Property of Carbonochloridic acid, 2-methyl-2-propenyl ester

Chemical Property:

• Vapor Pressure: 8.69mmHg at 25°C
• Boiling Point: 132.9°Cat760mmHg
• Flash Point: 35.9°C
• PSA: 26.30000
• Density: 1.113g/cm³
• LogP: 1.93790
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 134.0134572
• Heavy Atom Count: 8
• Complexity: 109

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=C)COC(=O)Cl

Technology Process of Carbonochloridic acid, 2-methyl-2-propenyl ester

There total 2 articles about Carbonochloridic acid, 2-methyl-2-propenyl ester 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:

bis(trichloromethyl) carbonate (32315-10-9) + 3-hydroxy-2-methyl-1-propene (513-42-8) → 2-methylallyl chloroformate (42068-70-2)

Guidance literature:

With potassium carbonate; In toluene; at 0 ℃; for 2h; Inert atmosphere;

DOI:10.1002/chem.201502878

Reference yield:

phosgene (75-44-5) + 3-hydroxy-2-methyl-1-propene (513-42-8) → 2-methylallyl chloroformate (42068-70-2)

Guidance literature:

Reference yield: 94.0%

1-phenyl-2-(1-piperazinyl)-indole 3-carboxylic acid (4-methyl)-piperazide + 2-methylallyl chloroformate (42068-70-2) → 2-[4-(2-Methyl-2-propenyl)oxycarbonyl-1-piperazinyl]-1-phenylindole-3-carboxylic acid-4-methyl-piperazide

Guidance literature:

With sodium carbonate;

upstream raw materials:

phosgene

3-hydroxy-2-methyl-1-propene

bis(trichloromethyl) carbonate

Downstream raw materials:

2-methylallyl 2-methylcyclohex-1-enyl carbonate

(Z)-2-methylallyl (1-(2-oxobenzo[d]oxazol-3(2H)-yl)-3-phenylprop-1-en-1-yl) carbonate

(Z)-5-((tert-butyldiphenylsilyl)oxy)-1-(2-oxobenzo[d]oxazol-3(2H)-yl)pent-1-en-1-yl (2-methylallyl) carbonate

C₂₇H₂₆N₂O₃

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