(1R,3S)-1,3-Cyclohexanedicarboxylic Acid 1-Ethylester

Base Information

Chemical Name:(1R,3S)-1,3-Cyclohexanedicarboxylic Acid 1-Ethylester
CAS No.:227783-08-6
Molecular Formula:C10H16O4
Molecular Weight:200.235
Hs Code.:
DSSTox Substance ID:DTXSID101256051
Nikkaji Number:J1.097.967F
Mol file:227783-08-6.mol

Synonyms:D-camphoric acid;L-camphoric acid;

Suppliers and Price of (1R,3S)-1,3-Cyclohexanedicarboxylic Acid 1-Ethylester

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
(1R,3S)-1,3-CyclohexanedicarboxylicAcid1-Ethylester
100mg
$ 195.00

Crysdot
(1S,3R)-3-(Ethoxycarbonyl)cyclohexanecarboxylicacid 95+%
1g
$ 517.00

Crysdot
(1S,3R)-3-(Ethoxycarbonyl)cyclohexanecarboxylicacid 95+%
25g
$ 3320.00

Crysdot
(1S,3R)-3-(Ethoxycarbonyl)cyclohexanecarboxylicacid 95+%
10g
$ 1895.00

Crysdot
(1S,3R)-3-(Ethoxycarbonyl)cyclohexanecarboxylicacid 95+%
5g
$ 1420.00

Chemenu
(1S,3R)-3-(Ethoxycarbonyl)cyclohexanecarboxylicacid 95%
5g
$ 1328.00

American Custom Chemicals Corporation
(1S,3R)-3-(ETHOXYCARBONYL)CYCLOHEXANECARBOXYLIC ACID 95.00%
250MG
$ 396.90

Total 15 raw suppliers

Chemical Property of (1R,3S)-1,3-Cyclohexanedicarboxylic Acid 1-Ethylester

Chemical Property:

Boiling Point:317.4±35.0 °C(Predicted)
PKA:4.41±0.10(Predicted)
PSA：63.60000
Density:1.158±0.06 g/cm3(Predicted)
LogP:1.44050
Storage Temp.:2-8°C
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:200.10485899
Heavy Atom Count:14
Complexity:224

Purity/Quality:

99% ^*data from raw suppliers

(1R,3S)-1,3-CyclohexanedicarboxylicAcid1-Ethylester ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCOC(=O)C1CCCC(C1)C(=O)O
Isomeric SMILES:CCOC(=O)[C@@H]1CCC[C@@H](C1)C(=O)O
Uses (1R,3S)-1,3-Cyclohexanedicarboxylic Acid 1-Ethylester is used in the synthesis of potent and selective inhibitors of Candida albicans N-myristoyltransferase.

Technology Process of (1R,3S)-1,3-Cyclohexanedicarboxylic Acid 1-Ethylester

There total 3 articles about (1R,3S)-1,3-Cyclohexanedicarboxylic Acid 1-Ethylester 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: 100.0%

: 62059-56-7
cis-1,3-Cyclohexanedicarboxylic acid diethyl ester

: 227783-08-6
(1S,3R)-3-ethoxycarbonylcyclohexane-1-carboxylic acid

Guidance literature:: With phosphate buffer; lipase AYS Amano; at 20 ℃; for 24h; pH=7.2;
DOI:10.1016/j.bmc.2005.01.033

Reference yield:

: 2305-30-8,2305-31-9,3971-31-1,21917-23-7,116724-13-1,116724-14-2
(1R)-cyclohexane-1,3-dicarboxylic acid

: 227783-08-6
(1S,3R)-3-ethoxycarbonylcyclohexane-1-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1.1: acetyl chloride / Reflux

1.2: Reflux

2.1: Amano Lipase AYS / aq. phosphate buffer / 20 °C / pH 7.2

With acetyl chloride; In aq. phosphate buffer;
DOI:10.1021/acs.oprd.6b00063

Reference yield:

: 4355-31-1
3-oxabicyclo<3.3.1>nonane-2,4-dione

: 227783-08-6
(1S,3R)-3-ethoxycarbonylcyclohexane-1-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: toluene-4-sulfonic acid / ethanol

2: Amano Lipase AYS / aq. phosphate buffer / 20 °C / pH 7.2

With toluene-4-sulfonic acid; In aq. phosphate buffer; ethanol;
DOI:10.1021/acs.oprd.6b00063