trans-1,4-Cyclohexanedicarboxylic acid monomethyl ester

Base Information

• Chemical Name: trans-1,4-Cyclohexanedicarboxylic acid monomethyl ester
• CAS No.: 32529-79-6
• 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: 32529-79-6.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:

• Melting Point: 112-114℃
• Boiling Point: 303.1°Cat760mmHg
• PKA: 4.66±0.10(Predicted)
• Flash Point: 118.3°C
• PSA: 63.60000
• Density: 1.191g/cm³
• LogP: 1.05040
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Slightly soluble in water (11 g/L at 25°C).
• 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:

99.0%Min ^*data from raw suppliers

4-Carbomethoxy-cyclohexane-1-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1CCC(CC1)C(=O)O
• Uses: 4-(Methoxycarbonyl)cyclohexane-1-carboxylic acid is used as pharmaceutical intermediate.

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: 58.0%

trans-1,4-cyclohexanedicarboxylic acid dimethyl ester → 4-(methoxycarbonyl)cyclohexanecarboxylic acid (32529-79-6)

Guidance literature:

With potassium hydroxide; In methanol; for 6h; Reflux;

Reference yield: 43.0%

dimethyl 1,4-cyclohexane dicarboxylate (94-60-0) → 4-(methoxycarbonyl)cyclohexanecarboxylic acid (32529-79-6)

Guidance literature:

With water; barium(II) hydroxide; In methanol; at 25 ℃; for 12h;

Reference yield:

Monomethyl terephthalate (1679-64-7) → 4-(methoxycarbonyl)cyclohexanecarboxylic acid (32529-79-6)

Guidance literature:

With 5% rhodium-on-charcoal; hydrogen; In 1,4-dioxane; methanol; under 38002.6 Torr;

DOI:10.1016/j.bmcl.2009.02.035

upstream raw materials:

dimethyl 1,4-cyclohexane dicarboxylate

Monomethyl terephthalate

cyclohexane-1,4-dicarboxylic acid

Downstream raw materials:

4-hydroxymethylcyclohexanecarboxylic acid methyl ester

4-(3-phenylpropylcarbamoyl)cyclohexanecarboxylic acid

methyl 4-(3-phenylpropylcarbamoyl)cyclohexanecarboxylate

Refernces

• 1、 -. "3-CYCLOHEXENYL AND CYCLOHEXYL SUBSTITUTED INDOLE AND INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF". Paragraph 0294. . Retrieved 2015/07/15.
• 2、 Kim, In-Hae,Park, Yong-Kyu,Hammock, Bruce D.,Nishi, Kosuke. "Structure-activity relationships of cycloalkylamide derivatives as inhibitors of the soluble epoxide hydrolase". experimental part. p. 1752 - 1761. Retrieved 2011/05/05.