Methyl 4,4-dinitrovalerate

Base Information

Chemical Name:Methyl 4,4-dinitrovalerate
CAS No.:6921-12-6
Molecular Formula:C6H10N2O6
Molecular Weight:206.155
Hs Code.:
European Community (EC) Number:230-034-3
NSC Number:76734
UNII:3SNJ83YAJ3
DSSTox Substance ID:DTXSID50863960
Nikkaji Number:J265.958A
Mol file:6921-12-6.mol

Synonyms:methyl 4,4-dinitropentanoate;Methyl 4,4-dinitrovalerate;MDNP;3SNJ83YAJ3;6921-12-6;NSC-76734;NSC76734;Pentanoic acid, 4,4-dinitro-, methyl ester;UNII-3SNJ83YAJ3;SCHEMBL2219581;DTXSID50863960;EINECS 230-034-3;NSC 76734;4,4-Dinitropentanoic acid methyl ester;Valeric acid,4-dinitro-, methyl ester;Pentanoic acid,4-dinitro-, methyl ester

Suppliers and Price of Methyl 4,4-dinitrovalerate

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

Total 7 raw suppliers

Chemical Property of Methyl 4,4-dinitrovalerate

Chemical Property:

Vapor Pressure:0.000956mmHg at 25°C
Boiling Point:303°Cat760mmHg
Flash Point:140.7°C
PSA：117.94000
Density:1.315g/cm³
LogP:1.25560
XLogP3:0.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:206.05388604
Heavy Atom Count:14
Complexity:238

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of Methyl 4,4-dinitrovalerate

There total 3 articles about Methyl 4,4-dinitrovalerate 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:

: 292638-85-8,9003-21-8,96-33-3
acrylic acid methyl ester

: 6921-12-6
4,4-dinitrovaleriansaeure-methylester

Guidance literature:: With water; anschliessend mit Essigsaeure;
DOI:10.1021/ja01147a119

Reference yield:

: 36022-19-2
4,4-dinitro-pentanimidic acid methyl ester; hydrochloride

: 6921-12-6
4,4-dinitrovaleriansaeure-methylester

Guidance literature:: With water; In diethyl ether;
DOI:10.1007/BF00945518

Reference yield:

: 186581-53-3,908094-01-9,334-88-3
diazomethane

: 6921-12-6
4,4-dinitrovaleriansaeure-methylester

: 85547-39-3,85547-40-6,85547-53-1,133267-42-2,337365-73-8
cis-tetrahydro-3-methyl-5-oxo-2-furancarboxylic acid methyl ester

: 85547-39-3,85547-40-6,85547-53-1,133267-42-2,337365-73-8
trans-tetrahydro-3-methyl-5-oxo-2-furancarboxylic acid methyl ester

: 3-Hydroxy-2-methylglutarsaeure-dimethylester

Guidance literature:: With water; nitric acid; Yield given. Multistep reaction. Further byproducts given. Yields of byproduct given; 1.) 120 deg C, 4.5 h;
DOI:10.1002/hlca.19830660111