4-Methyl-4-nitropentanoic acid

Base Information

Chemical Name:4-Methyl-4-nitropentanoic acid
CAS No.:23102-02-5
Molecular Formula:C8H15 N O4
Molecular Weight:189.211
Hs Code.:
NSC Number:403227,49604
DSSTox Substance ID:DTXSID10177671
Nikkaji Number:J2.010.376K
Wikidata:Q83047983
Mol file:23102-02-5.mol

Synonyms:4-METHYL-4-NITROPENTANOIC ACID;32827-16-0;23102-02-5;NSC49604;SCHEMBL44822;DTXSID10177671;KHKJLJHJTQRHSA-UHFFFAOYSA-N;MFCD11168308;NSC-49604;NSC403227;4-METHYL-4-NITROPENTANOICACID;AKOS005174997;NSC-403227;LS-04771;CS-0308960;EN300-144293

Suppliers and Price of 4-Methyl-4-nitropentanoic acid

Supply Marketing:

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

Manufacturers and distributors:

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Total 0 raw suppliers

Chemical Property of 4-Methyl-4-nitropentanoic acid

Chemical Property:

Vapor Pressure:0.000177mmHg at 25°C
Boiling Point:306.3°Cat760mmHg
Flash Point:137.7°C
Density:1.193g/cm³
XLogP3:0.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:161.06880783
Heavy Atom Count:11
Complexity:170

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 4-Methyl-4-nitropentanoic acid

There total 9 articles about 4-Methyl-4-nitropentanoic acid 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:

: 79-46-9
2-nitropropane

: 555-16-8
4-nitrobenzaldehdye

: 140-88-5,9003-32-1
ethyl acrylate

: 23102-02-5
ethyl 4-methyl-4-nitro-pentanoate

: ethyl (R*)-2-[(R*)-hydroxy(4-nitrophenyl)methyl]-4-methyl-4-nitropentanoate

: ethyl (R*)-2-[(S*)-hydroxy(4-nitrophenyl)methyl]-4-methyl-4-nitropentanoate

Guidance literature:: With N,N,N′,N′-tetramethyl-N″-tert-butylguanidine; In dimethyl sulfoxide; at 20 ℃; for 2h; Inert atmosphere;
DOI:10.1016/j.tet.2021.132329

Reference yield:

: 79-46-9
2-nitropropane

: 105-07-7
4-cyanobenzaldehyde

: 140-88-5,9003-32-1
ethyl acrylate

: 23102-02-5
ethyl 4-methyl-4-nitro-pentanoate

: ethyl (R*)-2-[(R*)-(4-cyanophenyl)hydroxymethyl]-4-methyl-4-nitropentanoate

: ethyl (R*)-2-[(S*)-(4-cyanophenyl)hydroxymethyl]-4-methyl-4-nitropentanoate

Guidance literature:: With N,N,N′,N′-tetramethyl-N″-tert-butylguanidine; In dimethyl sulfoxide; at 20 ℃; for 2h; Inert atmosphere;
DOI:10.1016/j.tet.2021.132329

Reference yield:

: 79-46-9
2-nitropropane

: 1122-91-4
4-bromo-benzaldehyde

: 140-88-5,9003-32-1
ethyl acrylate

: 23102-02-5
ethyl 4-methyl-4-nitro-pentanoate

: ethyl (R*)-2-[(R*)-(4-bromophenyl)hydroxymethyl]-4-methyl-4-nitropentanoate

: ethyl (R*)-2-[(S*)-(4-bromophenyl)hydroxymethyl]-4-methyl-4-nitropentanoate

Guidance literature:: With N,N,N′,N′-tetramethyl-N″-tert-butylguanidine; In dimethyl sulfoxide; at 20 ℃; for 2h; Inert atmosphere;
DOI:10.1016/j.tet.2021.132329