2-Isopropylpentanoic acid

Base Information

Chemical Name:2-Isopropylpentanoic acid
CAS No.:62391-99-5
Molecular Formula:C8H16O2
Molecular Weight:144.214
Hs Code.:2915900000
European Community (EC) Number:263-529-8
UNII:2B1J2157CO
DSSTox Substance ID:DTXSID70881262
Nikkaji Number:J307.037I
Wikidata:Q27254501
ChEMBL ID:CHEMBL238698

Synonyms:2-IPP acid;2-isopropylpentanoic acid

Suppliers and Price of 2-Isopropylpentanoic acid

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

TRC
rac2-IsopropylPentanoicAcid
1g
$ 1155.00

Sigma-Aldrich
Valproic Acid Related Compound B
25mg
$ 1300.00

Sigma-Aldrich
Valproic Acid Related Compound B PharmaceuticalSecondaryStandard;CertifiedReferenceMaterial
100MG
$ 413.00

Biosynth Carbosynth
rac 2-Isopropyl pentanoic acid
1 g
$ 400.00

Biosynth Carbosynth
rac 2-Isopropyl pentanoic acid
500 mg
$ 300.00

Biosynth Carbosynth
rac 2-Isopropyl pentanoic acid
250 mg
$ 162.50

Biosynth Carbosynth
rac 2-Isopropyl pentanoic acid
100 mg
$ 105.00

Biosynth Carbosynth
rac 2-Isopropyl pentanoic acid
50 mg
$ 60.00

AK Scientific
2-Isopropylpentanoicacid
5g
$ 1403.00

Total 26 raw suppliers

Chemical Property of 2-Isopropylpentanoic acid

Chemical Property:

Vapor Pressure:0.0231mmHg at 25°C
Refractive Index:1.433
Boiling Point:230.6 °C at 760 mmHg
PKA:4.74±0.20(Predicted)
Flash Point:104.8 °C
PSA：37.30000
Density:0.924 g/cm³
LogP:2.14330
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:144.115029749
Heavy Atom Count:10
Complexity:108

Purity/Quality:

99%, ^*data from raw suppliers

rac2-IsopropylPentanoicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCC(C(C)C)C(=O)O
Uses A constitutional isomer of Valproic acid; a potent anticonvulsant. Sodium valproate impurity C

Technology Process of 2-Isopropylpentanoic acid

There total 13 articles about 2-Isopropylpentanoic 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: 88.0%

: 503-74-2
3-methylbutyric acid

: 107-08-4
1-iodo-propane

: 62391-99-5
propylisopropyl acetic acid

Guidance literature:: 3-methylbutyric acid; With lithium diisopropyl amide; In tetrahydrofuran; at -20 ℃; for 0.25h;

With N,N,N,N,N,N-hexamethylphosphoric triamide; In tetrahydrofuran; at 4 ℃; for 0.0833333h;

1-iodo-propane; In tetrahydrofuran; at 0 - 20 ℃; for 1h; Further stages.;
DOI:10.1021/jm7009233

Reference yield: 40.0%

: 2-cyano-2-isopropylpentanoic acid methyl ester

: 62391-99-5
propylisopropyl acetic acid

Guidance literature:: With sulfuric acid; In water; at 150 ℃; for 15h;

Reference yield:

: 107-08-4
1-iodo-propane

: 66730-62-9
C₅H₈O₂^(2-)*2Li⁽¹⁺⁾

: 62391-99-5
propylisopropyl acetic acid

Guidance literature:: C₅H₈O₂^(2-)*2Li⁽¹⁺⁾; With N,N,N,N,N,N-hexamethylphosphoric triamide; In tetrahydrofuran; hexane; at 20 ℃; for 0.5h;

1-iodo-propane; In tetrahydrofuran; hexane; at 0 - 20 ℃; for 1h;

With hydrogenchloride; water; In tetrahydrofuran; hexane; at 0 ℃; pH=1 - 2;