trans-1,4-Cyclohexanedicarboxylic acid monomethyl ester

Base Information

• Chemical Name: trans-1,4-Cyclohexanedicarboxylic acid monomethyl ester
• CAS No.: 15177-67-0
• Molecular Formula: C9H14O4
• Molecular Weight: 186.208
• Hs Code.: 2917200090
• 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: 15177-67-0.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:

• Vapor Pressure: 0.000219mmHg at 25°C
• Melting Point: 126.0 to 130.0 °C
• Refractive Index: 1.484
• Boiling Point: 303.145 °C at 760 mmHg
• PKA: 4.66±0.10(Predicted)
• Flash Point: 118.334 °C
• PSA: 63.60000
• Density: 1.191 g/cm³
• 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:

99.9% ^*data from raw suppliers

Trans-1,4-cyclohexane dicarboxylic acid monomethyl ester ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:
• Hazard Codes: R36/37/38:
• 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: Trans-cyclohexane-1,4-dicarboxylic acid monomethyl ester is a carboxylic acid ester derivative, used as organic reagents.

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

There total 11 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: 71.32%

dimethyl 1,4-cyclohexane dicarboxylate (94-60-0) → trans-4-(methoxycarbonyl)cyclohexanecarboxylic acid (15177-67-0)

Guidance literature:

dimethyl 1,4-cyclohexane dicarboxylate; With pyridine; In methanol; at 40 ℃; for 2h;

With potassium hydroxide; In methanol; at 20 ℃; for 3h; Reagent/catalyst; Temperature;

Reference yield: 58.0%

dimethyl 1,4-cyclohexanedicarboxylate (3399-22-2) → trans-4-(methoxycarbonyl)cyclohexanecarboxylic acid (15177-67-0)

Guidance literature:

With potassium hydroxide; In methanol; for 5h; Reflux;

Reference yield:

trans-hexahydroterephthalic acid (619-82-9) + diazomethyl-trimethyl-silane (18107-18-1) → trans-4-(methoxycarbonyl)cyclohexanecarboxylic acid (15177-67-0)

Guidance literature:

In tetrahydrofuran; methanol; hexane; at 20 ℃; for 16h;

upstream raw materials:

methanol

trans-hexahydroterephthalic acid

dimethyl 1,4-cyclohexanedicarboxylate

diazomethane

Downstream raw materials:

trans-1-chlorocarbonyl-4-(methoxycarbonyl)-cyclohexane

(trans)-4-(2-hydroxypropan-2-yl)cyclohexanecarboxylic acid

methyl cyclohexylcarboxylate

dimethyl 1,4-cyclohexanedicarboxylate

Refernces

• 1、 Jin, Fangfang,Hu, Qiyue,Fei, Hongbo,Lv, Hejun,Wang, Shenglan,Gui, Bin,Zhang, Junzhen,Tu, Wangyang,Zhang, Yun,Zhang, Lei,Wan, Hong,Zhang, Limin,Hu, Bin,Yang, Fanglong,Bai, Chang,He, Feng,Zhang, Lianshan,Tao, Weikang. "Discovery of Hydroxyamidine Derivatives as Highly Potent, Selective Indoleamine-2,3-dioxygenase 1 Inhibitors". supporting information. p. 195 - 201. Retrieved 2021/02/06.
• 2、 -. "Preparation method of trans-1,4-cyclohexane dicarboxylic acid monomethyl ester". Paragraph 0027-0041. . Retrieved 2018/07/06.