Methyl 2-isocyano-4-methylpentanoate

Base Information

Chemical Name:Methyl 2-isocyano-4-methylpentanoate
CAS No.:67524-41-8
Molecular Formula:C8H13NO2
Molecular Weight:155.197
Hs Code.:2926909090
DSSTox Substance ID:DTXSID60374794
Nikkaji Number:J1.684.991J
Mol file:67524-41-8.mol

Synonyms:methyl 2-isocyano-4-methylpentanoate;67524-41-8;2-Isocyano-4-methylpentanoic acid methyl ester;Pentanoic acid, 2-isocyano-4-methyl-, methyl ester;SCHEMBL11391568;DTXSID60374794;AKOS006292674;4-Methyl-2-isocyanovaleric acid methyl ester

Suppliers and Price of Methyl 2-isocyano-4-methylpentanoate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
METHYL-2-ISOCYANO-4-METHYLPENTANOATE 95.00%
5MG
$ 500.60

Total 5 raw suppliers

Chemical Property of Methyl 2-isocyano-4-methylpentanoate

Chemical Property:

PSA：26.30000
LogP:0.72410
XLogP3:1.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:155.094628657
Heavy Atom Count:11
Complexity:178

Purity/Quality:

95% ^*data from raw suppliers

METHYL-2-ISOCYANO-4-METHYLPENTANOATE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)CC(C(=O)OC)[N+]#[C-]

Technology Process of Methyl 2-isocyano-4-methylpentanoate

There total 4 articles about Methyl 2-isocyano-4-methylpentanoate 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: 98.0%

: 20310-07-0
N-Formyl-leucin-methylester

: 67524-41-8
methyl α-isobutyl α-isocyanoacetate

Guidance literature:: With triethylamine; trichlorophosphate; In dichloromethane; at 0 ℃; Green chemistry;
DOI:10.1039/d0gc02722g

Reference yield:

: 328-39-2,21675-61-6,25248-98-0,70-45-1
LEUCINE

: 67524-41-8
methyl α-isobutyl α-isocyanoacetate

Guidance literature:: Multi-step reaction with 3 steps

1.1: 100 percent / SOCl₂ / 3 h / Heating

2.1: Ac₂O / 2 h / 55 °C

2.2: CH₂Cl₂ / 2 h / 20 °C

3.1: 91 percent / POCl₃; Et₃N / tetrahydrofuran / 2 h / 0 °C

With thionyl chloride; acetic anhydride; triethylamine; trichlorophosphate; In tetrahydrofuran;
DOI:10.1021/jo070840x

Reference yield:

: 18869-43-7
DL-leucine methyl ester

: 67524-41-8
methyl α-isobutyl α-isocyanoacetate

Guidance literature:: Multi-step reaction with 2 steps

1.1: Ac₂O / 2 h / 55 °C

1.2: CH₂Cl₂ / 2 h / 20 °C

2.1: 91 percent / POCl₃; Et₃N / tetrahydrofuran / 2 h / 0 °C

With acetic anhydride; triethylamine; trichlorophosphate; In tetrahydrofuran;
DOI:10.1021/jo070840x