trans-1,2-Cyclohexanedicarboxylic acid

CAS No.：2305-32-0

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trans-1,2-Cyclohexanedicarboxylic acid Basic information

Product Name:	trans-1,2-Cyclohexanedicarboxylic acid
Synonyms:	trans-Cyclohexane-1,2-dicarboxylic acid for synthesis;TRANS-HEXAHYDRO-PHTHALIC ACID;TRANS-CYCLOHEXANE-1,2-DICARBOXYLIC ACID;TRANS-1,2-CYCLOHEXANEDICARBOXYLIC ACID;trans-Cyclohexane-1,2-dicarboxylic acid, trans-Hexahydrophthalic acid;TRANS-1,2-CYCLOHEXANEDICARBOXYLIC ACID, 95%, REMAINDER CIS;rel-(1R)-1β,2α-Cyclohexanedicarboxylic acid;rel-(1R,2R*)-1,2-Cyclohexanedicarboxylic acid
CAS:	2305-32-0
MF:	C8H12O4
MW:	172.18
EINECS:	218-975-8
Product Categories:	Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts
Mol File:	2305-32-0.mol

trans-1,2-Cyclohexanedicarboxylic acid Chemical Properties

Melting point	228-230 °C (lit.)
Boiling point	262.49°C (rough estimate)
density	1.2104 (rough estimate)
refractive index	1.4450 (estimate)
storage temp.	Store below +30°C.
solubility	Acetone (Slightly), DMSO (Slightly)
form	Solid
pka	pK1:4.18;pK2: 5.93 (20°C)
color	White
Water Solubility	2g/L(20 ºC)
BRN	3200609
InChIKey	QSAWQNUELGIYBC-WDSKDSINSA-N
CAS DataBase Reference	2305-32-0(CAS DataBase Reference)
NIST Chemistry Reference	1,2-Cyclohexanedicarboxylic acid, trans-(2305-32-0)
EPA Substance Registry System	1,2-Cyclohexanedicarboxylic acid, (1R,2R)-rel- (2305-32-0)

Safety Information

Hazard Codes	Xi
Risk Statements	36/37/38
Safety Statements	26-36
WGK Germany	3
RTECS	GU9065000
TSCA	Yes
HS Code	29172000

MSDS Information

Provider	Language
trans-Hexahydrophthalic acid	English
SigmaAldrich	English
ACROS	English
ALFA	English

trans-1,2-Cyclohexanedicarboxylic acid Usage And Synthesis

Chemical Properties	white crystalline powder
Uses	trans-1,2-cyclohexanedicarboxylic acid be used as organic intermediates.
Uses	trans-1,2-Cyclohexanedicarboxylic Acid is used as a reagent in the synthesis of enantiopure (α-cyanoalkyl)(tetrahydropyrido[4,3-b]indolecarbonyl)cyclohexanecarboxamides and its analogs as selective cathepsin K inhibitors for the treatment of osteoarthritis. Also used as a reagent in the synthesis of novel cyclopentanedicarboxamide sodium channel blockers as a potential treatment for chronic pain.
Purification Methods	It is purified by recrystallisation from EtOH or H2O. It is formed by hydrolyzing the anhydride with water. The dimethyl ester has m 95-96o (from C6H6/pet ether). [Abell J Org Chem 22 769 1957, Smith & Byrne J Am Chem Soc 72 4406 1950, Linstead et al. J Am Chem Soc 64 2093 1942, Beilstein 9 III 3812, 9 IV 2801.] The 1R,2R-(-)-trans-cyclohexane-1,2-acid [46022-05-3] has m 171-182o and [ ] D -20o (c 1, Me2CO). cis-Cyclohexane-1,2-dicarboxylic anhydride (cis-hexahydrophthalic anhydride) [85-42-7, 13149-00-3] M 154.2, m 32-34o, b 158o/17mm. It has been obtained by heating the trans-acid or anhydride at 200o. Crystallise it from C6H6/Et2O or distil it. [Kohler & Jansen J Am Chem Soc 60 2145 1938, Abell J Org Chem 22 769 1957, Beilstein 17 II 452, 17 III/IV 5931.]

trans-1,2-Cyclohexanedicarboxylic acid Preparation Products And Raw materials

Preparation Products

(1R,2R)-(-)-1,2-CYCLOHEXANEDICARBOXYLIC ACID-->1,3-Cyclohexanedicarboxylic acid-->CIS-1,2-CYCLOHEXANEDICARBOXYLIC ANHYDRIDE

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