(1R,2S,4R)-4-phenylcyclohexane-1,2-dicarboxylate

Base Information

Chemical Name:(1R,2S,4R)-4-phenylcyclohexane-1,2-dicarboxylate
CAS No.:36299-64-6
Molecular Formula:C₁₄H₁₆O₄
Molecular Weight:248.279
Hs Code.:
DSSTox Substance ID:DTXSID70428111
Wikidata:Q82240895
Mol file:36299-64-6.mol

Synonyms:(1R,2S,4R)-4-phenylcyclohexane-1,2-dicarboxylate;DTXSID70428111

Suppliers and Price of (1R,2S,4R)-4-phenylcyclohexane-1,2-dicarboxylate

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

American Custom Chemicals Corporation
4-TRANS-PHENYLCYCLOHEXANE-CIS-1,2-DICARBOXYLIC ACID 95.00%
5MG
$ 495.41

Total 7 raw suppliers

Chemical Property of (1R,2S,4R)-4-phenylcyclohexane-1,2-dicarboxylate

Chemical Property:

Vapor Pressure:7.08E-10mmHg at 25°C
Melting Point:185 °C
Refractive Index:1.5389 (estimate)
Boiling Point:476.2°Cat760mmHg
Flash Point:255.9°C
PSA：74.60000
Density:g/cm³
LogP:2.35570
XLogP3:3.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:246.08920892
Heavy Atom Count:18
Complexity:309

Purity/Quality:

98%min ^*data from raw suppliers

4-TRANS-PHENYLCYCLOHEXANE-CIS-1,2-DICARBOXYLIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CC(C(CC1C2=CC=CC=C2)C(=O)[O-])C(=O)[O-]
Isomeric SMILES:C1C[C@H]([C@H](C[C@@H]1C2=CC=CC=C2)C(=O)[O-])C(=O)[O-]

Technology Process of (1R,2S,4R)-4-phenylcyclohexane-1,2-dicarboxylate

There total 6 articles about (1R,2S,4R)-4-phenylcyclohexane-1,2-dicarboxylate 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: 82.0%

: (1S,2R,4S)-4-Phenyl-cyclohexane-1,2-dicarboxylic acid dimethyl ester

: 1444-93-5,36299-64-6,36299-65-7,36299-66-8
4-phenyl-1,2-cyclohexanedicarboxylic acid

Guidance literature:: With water; lithium hydroxide; In tetrahydrofuran; at 40 ℃; for 10h;
DOI:10.1016/j.tet.2018.05.035

Reference yield: 82.0%

: 2305-26-2
cis-1,2,3,6-tetrahydrophthalic acid

: 71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1
benzene

: 1444-93-5,36299-64-6,36299-65-7,36299-66-8
(1R*,2S*)-4-phenylcyclohexane-1,2-dicarboxylic acid

Guidance literature:: With aluminum (III) chloride; for 5h;
DOI:10.1007/s11172-017-1820-x

Reference yield: 81.0%

: 2305-26-2
cis-1,2,3,6-tetrahydrophthalic acid

: 71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1
benzene

: 1444-93-5,36299-64-6,36299-65-7,36299-66-8
4-phenyl-1,2-cyclohexanedicarboxylic acid

Guidance literature:: cis-1,2,3,6-tetrahydrophthalic acid; benzene; With aluminum (III) chloride; at 50 ℃; for 24h;

With hydrogenchloride; In water; at 0 - 20 ℃; for 0.666667h;
DOI:10.1016/j.tet.2018.05.035