3-Dehydroshikimic acid

Base Information

Chemical Name:3-Dehydroshikimic acid
CAS No.:2922-42-1
Molecular Formula:C7H8 O5
Molecular Weight:172.138
Hs Code.:2918990090
European Community (EC) Number:634-499-7
Wikipedia:3-Dehydroshikimic_acid
Wikidata:Q61014520
Mol file:2922-42-1.mol

Synonyms:3-dehydroshikimate;3-dehydroshikimic acid

Suppliers and Price of 3-Dehydroshikimic 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
(-)-3-DehydroShikimicAcid
100mg
$ 585.00

TRC
(-)-3-DehydroShikimicAcid
1mg
$ 100.00

Sigma-Aldrich
3-Dehydroshikimic acid ≥95.0% (HPLC)
10mg
$ 129.00

Sigma-Aldrich
3-Dehydroshikimic acid ≥95.0% (HPLC)
100mg
$ 675.00

Medical Isotopes, Inc.
(-)-3-DehydroshikimicAcid
5 mg
$ 1760.00

Biosynth Carbosynth
(-)-3-Dehydro shikimic acid
50 mg
$ 600.00

Biosynth Carbosynth
(-)-3-Dehydro shikimic acid
25 mg
$ 400.00

Biosynth Carbosynth
(-)-3-Dehydro shikimic acid
10 mg
$ 200.00

Biosynth Carbosynth
(-)-3-Dehydro shikimic acid
5 mg
$ 125.00

Biosynth Carbosynth
(-)-3-Dehydro shikimic acid
2 mg
$ 60.00

Total 27 raw suppliers

Chemical Property of 3-Dehydroshikimic acid

Chemical Property:

Vapor Pressure:2.99E-08mmHg at 25°C
Melting Point:150-152 °C
Boiling Point:405.1°Cat760mmHg
PKA:3.03±0.60(Predicted)
Flash Point:213°C
PSA：94.83000
Density:1.713g/cm³
LogP:-1.30800
Storage Temp.:-20°C Freezer
Solubility.:Methanol (Slightly), Water (Slightly)
XLogP3:-0.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:0
Exact Mass:171.02934832
Heavy Atom Count:12
Complexity:249

Purity/Quality:

98%,99%, ^*data from raw suppliers

(-)-3-DehydroShikimicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36
Safety Statements: 26

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C(C(C(=O)C=C1C(=O)[O-])O)O
Isomeric SMILES:C1[C@H]([C@@H](C(=O)C=C1C(=O)[O-])O)O
Uses A metabolite of Shikimic Acid 3-Dehydroshikimic acid is a biochemical intermediate from D-glucose in the synthesis of pro-catechuic acid. 3-Dehydroshikimic acid has been used in a study to describe the synthesis of catechuic acid (1) and ethyl 2,4,5-trihydroxybenzoate (2) from D-glucose-derived β-ketoester. 3-Dehydroshikimic acid has also been used in studies to evaluate the shikimate biosynthetic pathway, in order to develop nontoxic antimicrobial agents, herbicides, and antiparasite drugs.

Technology Process of 3-Dehydroshikimic acid

There total 8 articles about 3-Dehydroshikimic 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: 60.0%

: 138-59-0
shikimic acid

: 2922-42-1
(-)-3-dehydroshikimic acid

Guidance literature:: With 2,3-dicyano-5,6-dichloro-p-benzoquinone; In tetrahydrofuran; at 65 ℃;
DOI:10.1021/jo00350a101

Reference yield:

: 2280-44-6
D-Glucose

: 138-08-9
phosphoenolpyruvic acid

: 138-59-0
shikimic acid

: 77-95-2
D-(-)-quinic acid

: 2922-42-1
(-)-3-dehydroshikimic acid

Guidance literature:: With dipotassium hydrogenphosphate; E_. coli SP_1.1; pKD₁₂₁₃₈; citric acid; In water; at 33 ℃; pH=7.0; Further Variations:; Reagents; Enzyme kinetics;
DOI:10.1021/ja0109444