trans-1,4-Cyclohexanedicarboxylic acid monomethyl ester

Base Information

• Chemical Name: trans-1,4-Cyclohexanedicarboxylic acid monomethyl ester
• CAS No.: 1011-85-4
• Molecular Formula: C9H14 O4
• Molecular Weight: 186.208
• Hs Code.: 2918990090
• European Community (EC) Number: 927-226-0,640-525-8,688-950-8,873-225-2
• NSC Number: 167365
• DSSTox Substance ID: DTXSID00905945,DTXSID401224382
• Nikkaji Number: J1.799.831E,J785.086G
• Mol file: 1011-85-4.mol

Synonyms:15177-67-0;TRANS-1,4-CYCLOHEXANEDICARBOXYLIC ACID MONOMETHYL ESTER;32529-79-6;1011-85-4;cis-4-(Methoxycarbonyl)cyclohexanecarboxylic acid;4-(methoxycarbonyl)cyclohexanecarboxylic acid;trans-4-(Methoxycarbonyl)cyclohexanecarboxylic acid;4-(methoxycarbonyl)cyclohexane-1-carboxylic acid;4-Carbomethoxy-cyclohexane-1-carboxylic acid;(1r,4r)-4-(methoxycarbonyl)cyclohexanecarboxylic acid;cis-4-Carbomethoxycyclohexane-1-carboxylic acid;4-methoxycarbonylcyclohexane-1-carboxylic acid;trans-4-carbomethoxycyclohexane-1-carboxylic acid;Monomethyl trans-1,4-Cyclohexanedicarboxylate;MFCD01311246;MFCD01311247;Trans-1,4-Cyclohexane dicarboxylic acid monomethyl ester;TRANS-CYCLOHEXANE-1,4-DICARBOXYLIC ACID MONOMETHYL ESTER;1,4-Cyclohexanedicarboxylic acid monomethyl ester;(1s,4s)-4-(methoxycarbonyl)cyclohexanecarboxylic acid;trans-1,4-Cyclohexanedicarboxylic acid monomethylester;Methyl Hydrogen trans-1,4-Cyclohexanedicarboxylate;(1r,4r)-4-(methoxycarbonyl)cyclohexane-1-carboxylic acid;NSC167365;4-(Methoxycarbonyl)cyclohexanecarboxylicacid;SCHEMBL107582;SCHEMBL145756;SCHEMBL595940;SCHEMBL13929449;SCHEMBL14305111;(1s,4s)-4-(methoxycarbonyl)cyclohexane-1-carboxylic acid;DTXSID00905945;ZQJNPHCQABYENK-KNVOCYPGSA-N;ZQJNPHCQABYENK-LJGSYFOKSA-N;ZQJNPHCQABYENK-UHFFFAOYSA-N;DTXSID401224382;BCP26742;CS-D1137;FD9014;SC5067;4-carbomethoxycyclohexane-1-carboxylic;AKOS006346539;AKOS015893057;AKOS016001153;CS-W001901;GS-4020;NSC-167365;SB11025;4-methoxycarbonylcyclohexanecarboxylic acid;AM807306;AS-18122;DS-15942;SY021604;SY259519;A3337;AM20070457;CS-0043140;FT-0682350;FT-0686263;FT-0694336;M2526;4-(methoxycarbonyl)-cyclohexanecarboxylic acid;EN300-49450;Monomethyl trans-1,4-cyclohexanedicarboxylatep;monomethyl trans-cyclohexane-1,4-dicarboxylate;EN300-196035;cis-4-Carbomethoxy-cyclohexane-1-carboxylic acid;EN300-2637328;A913080;Cyclohexane-1,4-dicarboxylic acid monomethyl ester;J-008847;trans-4- (Methoxycarbonyl)cyclohexanecarboxylic acid;trans-4-(Methoxycarbonyl)cyclohexane carboxylic acid;trans-4-(Methoxycarbonyl)cyclohexane-1-carboxylic acid;(1s,4s)-4-(Methoxycarbonyl)-cyclohexanecarboxylic acid;1,4-trans cyclohexanedicarboxylic acid monomethyl ester;trans-1,4- Cyclohexanedicarboxylic acid monomethyl ester;Z1201620917;Z1255465549;Z374049352;trans-1,4-Cyclohexanedicarboxylic Acid Monomethyl Ester

Chemical Property of trans-1,4-Cyclohexanedicarboxylic acid monomethyl ester

Chemical Property:

• Boiling Point: 303.1±35.0 °C(Predicted)
• PKA: 4.80±0.25(Predicted)
• PSA: 63.60000
• Density: 1.191±0.06 g/cm3(Predicted)
• LogP: 1.05040
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 186.08920892
• Heavy Atom Count: 13
• Complexity: 204

Purity/Quality:

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

cis-4-Carbomethoxy-cyclohexane-1-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1CCC(CC1)C(=O)O

Technology Process of trans-1,4-Cyclohexanedicarboxylic acid monomethyl ester

There total 5 articles about trans-1,4-Cyclohexanedicarboxylic acid monomethyl ester 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:

dimethyl 1,4-cyclohexane dicarboxylate (94-60-0) → trans-4-(methoxycarbonyl)cyclohexanecarboxylic acid (15177-67-0) + (1S,4S)-4-(methoxycarbonyl)cyclohexane-1-carboxylic acid (1011-85-4)

Guidance literature:

With sodium phosphate buffer; lipase from Candida rugosa; for 14h; Yield given. Yields of byproduct given. Title compound not separated from byproducts; pH 7.2;

DOI:10.1016/S0040-4039(96)02120-X

Reference yield:

di-isopropyl ether (108-20-3) + cis-dimethyl 1,4-cyclohexanedicarboxylate (3399-21-1) → (1S,4S)-4-(methoxycarbonyl)cyclohexane-1-carboxylic acid (1011-85-4)

Guidance literature:

With sodium hydroxide; In methanol;

Reference yield:

cis-dimethyl 1,4-cyclohexanedicarboxylate (3399-21-1) → (1S,4S)-4-(methoxycarbonyl)cyclohexane-1-carboxylic acid (1011-85-4)

Guidance literature:

With potassium hydroxide;

DOI:10.1021/ja01597a035 DOI:10.1007/BF02886244

upstream raw materials:

cis-dimethyl 1,4-cyclohexanedicarboxylate

diazomethane

cis-cyclohexane-1,4-dicarboxylic acid

dimethyl 1,4-cyclohexane dicarboxylate

Downstream raw materials:

cis-4-allylcarbamoyl-cyclohexanecarboxylic acid methyl ester

methyl cis-4-(diazoacetyl)cyclohexanecarboxylate

cis-4-{2-[9-(2,4-difluorobenzyl)-5,6,8,9-tetrahydro-7H-pyrido[4',3':4,5]pyrrolo[2,3-b]pyridin-7-yl]-2-oxoethyl}cyclohexanecarboxylic acid

cis-4-{2-[9-(3-fluorobenzyl)-5,6,8,9-tetrahydro-7H-pyrido[4',3':4,5]pyrrolo[2,3-b]pyridin-7-yl]-2-oxoethyl}cyclohexanecarboxylic acid

Refernces

• 1、 Smith,Fort. "-". . p. 4000. Retrieved 1956.
• 2、 -. "Thiazolidinone compounds and composition for angina pectoris comprising the compounds as an active ingredient". . . Retrieved 2008/06/13.