(3S)-3-phosphonooxycyclohexene-1-carboxylic acid

Base Information

Chemical Name:(3S)-3-phosphonooxycyclohexene-1-carboxylic acid
CAS No.:122741-61-1
Molecular Formula:C₇H₁₁O₆P
Molecular Weight:222.134
Hs Code.:
DSSTox Substance ID:DTXSID10924248
Wikidata:Q82898396
Mol file:122741-61-1.mol

Synonyms:4,5-dideoxy-S3P;4,5-dideoxyshikimate 3-phosphate;4,5-dideoxyshikimic acid 3-phosphate;ddS3P

Suppliers and Price of (3S)-3-phosphonooxycyclohexene-1-carboxylic 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
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price

Total 1 raw suppliers

Chemical Property of (3S)-3-phosphonooxycyclohexene-1-carboxylic acid

Chemical Property:

Vapor Pressure:1.8E-10mmHg at 25°C
Boiling Point:478.4°Cat760mmHg
Flash Point:243.1°C
PSA：0.00000
Density:1.56g/cm³
LogP:0.00000
XLogP3:-0.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:222.02932506
Heavy Atom Count:14
Complexity:303

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CC(C=C(C1)C(=O)O)OP(=O)(O)O
Isomeric SMILES:C1C[C@@H](C=C(C1)C(=O)O)OP(=O)(O)O

Technology Process of (3S)-3-phosphonooxycyclohexene-1-carboxylic acid

There total 4 articles about (3S)-3-phosphonooxycyclohexene-1-carboxylic 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:

: 18448-47-0
methyl cyclohex-1-ene-1-carboxylate

: 87518-54-5,122741-61-1
dihydroxyphosphoryloxycyclohex-1-ene-1-carboxylic acid

Guidance literature:: Multi-step reaction with 4 steps

1: 34 percent / chromium trioxide / acetic acid / 1.) 20 deg C, 2 h, 2.) 80 deg C, 16 h

2: 65 percent / NaBH₄ / methanol / 46 h / 23 °C

3: 70 percent / 1-methylimidazole / diethyl ether / 1.5 h / 0 °C

4: 1.) K₂CO₃, 2.) HCl / 1.) MeOH, 23 deg C, 24 h, 2.) 23 deg C, 1 h

With 1-methyl-1H-imidazole; chromium(VI) oxide; hydrogenchloride; sodium tetrahydroborate; potassium carbonate; In methanol; diethyl ether; acetic acid;
DOI:10.1016/0960-894X(96)00217-X

Reference yield:

: 106093-97-4,122620-80-8,134529-74-1
3-hydroxy-1-cyclohexenecarboxylic acid methyl ester

: 87518-54-5,122741-61-1
dihydroxyphosphoryloxycyclohex-1-ene-1-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 70 percent / 1-methylimidazole / diethyl ether / 1.5 h / 0 °C

2: 1.) K₂CO₃, 2.) HCl / 1.) MeOH, 23 deg C, 24 h, 2.) 23 deg C, 1 h

With 1-methyl-1H-imidazole; hydrogenchloride; potassium carbonate; In diethyl ether;
DOI:10.1016/0960-894X(96)00217-X

Reference yield:

: 54396-74-6
3-oxocyclohex-1-ene-1-carboxylic acid methyl ester

: 87518-54-5,122741-61-1
dihydroxyphosphoryloxycyclohex-1-ene-1-carboxylic acid

Guidance literature:: Multi-step reaction with 3 steps

1: 65 percent / NaBH₄ / methanol / 46 h / 23 °C

2: 70 percent / 1-methylimidazole / diethyl ether / 1.5 h / 0 °C

3: 1.) K₂CO₃, 2.) HCl / 1.) MeOH, 23 deg C, 24 h, 2.) 23 deg C, 1 h

With 1-methyl-1H-imidazole; hydrogenchloride; sodium tetrahydroborate; potassium carbonate; In methanol; diethyl ether;
DOI:10.1016/0960-894X(96)00217-X