3-Oxopentanedioic acid

Base Information Edit

Chemical Name:3-Oxopentanedioic acid
CAS No.:542-05-2
Molecular Formula:C5 H6O5
Molecular Weight:146.1
Hs Code.:29183000
European Community (EC) Number:208-797-9
UNII:IH7P7WO21P
DSSTox Substance ID:DTXSID2060252
Nikkaji Number:J15.072J
Wikipedia:Acetonedicarboxylic_acid
Wikidata:Q2823239
Metabolomics Workbench ID:42484
Mol file:542-05-2.mol

Synonyms:3-oxopentanedioic acid;1,3-Acetonedicarboxylic acid;542-05-2;3-Oxoglutaric acid;Acetonedicarboxylic acid;Pentanedioic acid, 3-oxo-;acetone-1,3-dicarboxylic acid;3-Ketoglutaric Acid;UNII-IH7P7WO21P;IH7P7WO21P;EINECS 208-797-9;EC 208-797-9;beta-KETOGLUTARIC ACID;acetondicarbonsaure;3-Ketoglutaric acid;6JN;MFCD00002711;3-oxopentanedioicacid;3-oxo-pentanedioic acid;Glutaric acid, 3-oxo-;SCHEMBL28522;1.3-acetonedicarboxylic acid;1,3-acetone dicarboxylic acid;acetone 1,3-dicarboxylic acid;1,3-diacetonedicarboxylic acid;I(2)-KetoglutarsA currencyure;.BETA.-KETOGLUTARIC ACID;DTXSID2060252;CHEBI:88950;ACETONEDICARBOXYLIC ACID [MI];BBL027398;s6048;STL382157;AKOS005146511;AC-3531;CS-W007752;FS-4496;HY-W007752;FT-0621806;K0006;1,3-Acetonedicarboxylic acid, technical grade;EN300-20020;K-2480;A830033;Q2823239;F2191-0194;Z104476434;72B67DDF-F659-43AA-9A12-E57411FDE057

Suppliers and Price of 3-Oxopentanedioic acid

Supply Marketing:Edit

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
β-KetoglutaricAcid
10g
$ 135.00

TCI Chemical
1,3-Acetonedicarboxylic Acid >95.0%(T)
250g
$ 536.00

TCI Chemical
1,3-Acetonedicarboxylic Acid >95.0%(T)
25g
$ 59.00

Sigma-Aldrich
1,3-Acetonedicarboxylic acid technical grade
25g
$ 34.30

Sigma-Aldrich
1,3-Acetonedicarboxylic acid technical grade
100g
$ 85.30

Matrix Scientific
1,3-Acetonedicarboxylic acid 95+%
100g
$ 101.00

Matrix Scientific
1,3-Acetonedicarboxylic acid 95+%
10g
$ 24.00

CSNpharm
3-Oxopentanedioicacid
100mg
$ 45.00

Crysdot
3-Oxopentanedioicacid 98%
500g
$ 128.00

Crysdot
3-Oxopentanedioicacid 98%
1000g
$ 208.00

Total 188 raw suppliers

Chemical Property of 3-Oxopentanedioic acid Edit

Chemical Property:

Appearance/Colour:44-36/37/38
Vapor Pressure:8.2E-08mmHg at 25°C
Melting Point:133 °C (dec.)(lit.)
Refractive Index:1.3920 (estimate)
Boiling Point:408.4 °C at 760 mmHg
PKA:pK (25°) 3.10
Flash Point:214.9 °C
PSA：91.67000
Density:1.499 g/cm³
LogP:-0.49510
Storage Temp.:2-8°C
Sensitive.:Hygroscopic
Solubility.:DMSO (Slightly, Heated), Methanol (Slightly)
Water Solubility.:soluble
XLogP3:-0.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:146.02152329
Heavy Atom Count:10
Complexity:153

Purity/Quality:

99% ^*data from raw suppliers

β-KetoglutaricAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 44-36/37/38
Safety Statements: 22-24/25-37/39-26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Chemical Classes:Other Classes -> Organic Acids
Canonical SMILES:C(C(=O)CC(=O)O)C(=O)O
Uses β-Ketoglutaric Acid is used in the synthesis of benzodiazepine derivatives. Also used in the synthesis of orally available hepatitis C virus polymerase inhibitors. Acetone-1,3-dicarboxylic acid is used as a building block in organic chemistry. It is also used in the synthesis of hetrocyclic rings and in the Weiss-Cook reaction, which involves the preparation of cis-bicyclo[3.3.0]octane-3,7-dione by reacting with diacyl (1,2 ketone). Its presence in human urine is used as a diagnostic test for the overgrowth of harmful gut flora such as Candida albicans.

Technology Process of 3-Oxopentanedioic acid

There total 31 articles about 3-Oxopentanedioic 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: 98.2%

: 152294-13-8
2-methoxypropane-1,3-dicarboxylic acid

: 542-05-2
acetonedicarboxylic acid

Guidance literature:: 2-methoxypropane-1,3-dicarboxylic acid; With sodium nitrate; lead(IV) tetraacetate; at 36 ℃; for 2.5h;

With zinc(II) oxalate; at 36 ℃; for 2h; Temperature;

Reference yield: 93.1%

: 77-92-9,906507-37-7
citric acid

: 542-05-2
acetonedicarboxylic acid

Guidance literature:: With sulfuric acid; at -3 - 30 ℃; for 7h;

Reference yield: 91.0%

: 3-amino-3-amido-glutaric acid

: 542-05-2
acetonedicarboxylic acid

Guidance literature:: With aluminum oxide; hypochlorous acid phenyl ester; sodium chloride; In 5,5-dimethyl-1,3-cyclohexadiene; at 6 - 55 ℃; for 4.5h; Temperature;