ChemicalBook--->CAS DataBase List--->15177-67-0

15177-67-0

15177-67-0 Structure

15177-67-0 Structure
IdentificationBack Directory
[Name]

TRANS-1,4-CYCLOHEXANEDICARBOXYLIC ACID MONOMETHYL ESTER
[CAS]

15177-67-0
[Synonyms]

trans-4-(Methoxycarbonyl)
Monmethyl trans-1,4-cyclohexanedicarboxylate
MonoMethyl trans-1,4-cyclohexanedicarboxylate
4(METHOXY CARBONYL) CYCLOHEXANE CARBOXYLIC ACID
Methyl trans-4-carboxycyclohexane-1-carboxylate
4-CYCLOHEXANEDICARBOXYLIC ACID MONOMETHYL ESTER
Monomethyl trans-1,4-Cyclohexanedicarboxylate >
TRANS-1,4-CYCLOHEXANEDICARBOXYLIC ACID MONOMETHYL
TRANS-4-CARBOMETHOXYCYCLOHEXANE-1-CARBOXYLIC ACID
Methyl Hydrogen trans-1,4-Cyclohexanedicarboxylate
TRANS-4-(METHOXYCARBONYL)CYCLOHEXANECARBOXYLIC ACID
Monomethyl trans-1,4-Cyclohexanedicarboxylate
(1r,4r)-4-(methoxycarbonyl)cyclohexanecarboxylic acid
trans-1,4-cyclohexanecarboxylic acid monomethyl ester
trans-4-(Methoxycarbonyl)cyclohexane-1-carboxylic acid
TRANS-1,4-CYCLOHEXANEDICARBOXYLIC ACID MONOMETHYL ESTER
Trans-1,4-cyclohexanedicarboxylic caid MonoMethyl ester
(1r,4r)-4-(methoxycarbonyl)cyclohexane-1-carboxylicacid
trans-cyclohexane-1,4-dicarboxylic acid MonoMethyl ester
1,4-Cyclohexanedicarboxylic acid, 1-Methyl ester, trans-
Trans-1,4-cyclohexane dicarboxalic acid MonoMethyl ester
1,4-Cyclohexanedicarboxylic acid, MonoMethyl ester, trans-
trans-1,4-Cyclohexanedicarboxylic Acid MonoMethyl Ester, 97+%
ItemName-(1r,4r)-4-(methoxycarbonyl)cyclohexanecarboxylicacid
Methyl trans-4-carboxycyclohexane-1-carboxylate, trans-1-Carboxy-4-(methoxycarbonyl)cyclohexane
[EINECS(EC#)]

210-614-2
[Molecular Formula]

C9H14O4
[MDL Number]

MFCD01311247
[MOL File]

15177-67-0.mol
[Molecular Weight]

186.21
Chemical PropertiesBack Directory
[Melting point ]

126.0 to 130.0 °C
[Boiling point ]

303.1±35.0 °C(Predicted)
[density ]

1.191±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

powder to crystal
[pka]

4.66±0.10(Predicted)
[color ]

White to Almost white
[InChI]

InChI=1S/C9H14O4/c1-13-9(12)7-4-2-6(3-5-7)8(10)11/h6-7H,2-5H2,1H3,(H,10,11)/t6-,7-
[InChIKey]

ZQJNPHCQABYENK-LJGSYFOKSA-N
[SMILES]

[C@@H]1(C(OC)=O)CC[C@@H](C(O)=O)CC1
Safety DataBack Directory
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36/37/39
[HazardClass ]

IRRITANT
[HS Code ]

2917200090
Hazard InformationBack Directory
[Uses]

Trans-cyclohexane-1,4-dicarboxylic acid monomethyl ester is a carboxylic acid ester derivative, used as organic reagents.
[Synthesis]

Dimethyl 1,4-cyclohexanedicarboxylate

94-60-0

TRANS-1,4-CYCLOHEXANEDICARBOXYLIC ACID MONOMETHYL ESTER

15177-67-0

(1) Isomerization reaction: 0.5 mol (100.1 g) of dimethyl 1,4-cyclohexanedicarboxylate (Ib) with a trans/cis isomer ratio of 3/7 to 5/5 was dissolved in 200 g of methanol at 40°C. The reaction was carried out by adding 15 g of pyridine as a catalyst. 15 g of pyridine was added as a catalyst, and after 2 h of reaction, a methanolic solution of dimethyl 1,4-cyclohexanedicarboxylate (II-b) with a trans/cis isomer ratio of 9/1 was obtained. (2) Monoester hydrolysis reaction: The methanol solution of dimethyl 1,4-cyclohexanedicarboxylate (II-b) with a trans/cis isomer ratio of 9/1 obtained in step (1) was cooled to room temperature, and 150 g of potassium hydroxide was added. The reaction was carried out at 20°C for 3 h. Monoester hydrolysis was carried out to obtain a water-soluble carboxylic acid ester of trans-1,4-cyclohexanedicarboxylic acid monomethyl ester. (3) Acidification and post-treatment: 200 g of water and 100 g of toluene were added to the reaction system of step (2), and the organic phase was removed by extraction and stratification. The aqueous phase was adjusted to pH 1-2 with concentrated hydrochloric acid and the mixture was cooled to 0 °C. After filtration, the mixture was dried under reduced pressure at 50 °C to afford 66.4 g of white solid powder of monomethyl trans-1,4-cyclohexanedicarboxylate (III). The yield was 71.32% and the purity of compound (III) was 98.9% as determined by gas chromatography.

[References]

[1] Patent: CN108129307, 2018, A. Location in patent: Paragraph 0027-0041
Spectrum DetailBack Directory
[Spectrum Detail]

TRANS-1,4-CYCLOHEXANEDICARBOXYLIC ACID MONOMETHYL ESTER(15177-67-0)1HNMR
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