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Cyclohexanecarboxylic acid, 4-hydroxy-, ethyl ester, trans-

Cyclohexanecarboxylic acid, 4-hydroxy-, ethyl ester, trans- structure

CAS No:
3618-04-0
Formula:
C9H16O3
Chemical Name:
Cyclohexanecarboxylic acid, 4-hydroxy-, ethyl ester, trans-
Synonyms:
Cyclohexanecarboxylic acid,4-hydroxy-,ethyl ester,trans-;trans-Ethyl 4-hydroxycyclohexanecarboxylate;trans-4-Hydroxycyclohexane-1-carboxylic acid ethyl ester;Ethyl trans-4-hydroxycyclohexanecarboxylate;trans-4-Hydroxycyclohexanecarboxylic acid ethyl ester

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Cyclohexanecarboxylic acid, 4-hydroxy-, ethyl ester, trans- Basic Attributes

Molecular Weight：

172.22

Exact Mass：

172.22

EC Number：

241-215-1

Characteristics

PSA：

46.5

XLogP3：

Density：

1.1±0.0 g/cm3

Boiling Point：

251.4°C at 760 mmHg

Flash Point：

100.2±0.0 °C

Refractive Index：

1.481

Safety Information

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

Cyclohexanecarboxylic acid, 4-hydroxy-, ethyl ester, trans- Use and Manufacturing

To a solution of ethyl 4-oxocyclohexanecarboxylate (13.5 g, 79 mmol) in MeOH (150 mL) at 0 °C was added NaBH4 (5.3 g, 140 mmol) and the mixture was stirred at rt for 3 h. Then the reaction was quenched by addition of H2O (50 mL) and extracted with AcOEt (150 mL x 1, 50 mL x 2). The combined organic layer was washed with H20 (50 mL), dried over Na2SO4, filtered and concentrated in vacuo. The residue was purified by silica gel column chromatography (hexane-AcOEt 1.5 : 1-1 : 1) to give the titled compound (12 g, 88percent, cisltrans = 3: 7) as clear oil. IH NMR (300MHz, CDC13, cisltrans mixture) 8 : 4.17-4. 08 (m, 2H), 3.90 (bs, 0.3H), 3. 68- 3.57 (m, 0.7H), 2.42-1. 28 (m, 9H), 1.27-1. 22 (m, 3H) ppm. (OH was not observed.)Example 1625-[4-(2, 6-Difluorophenoxy)cyclohexylmethoxy]-quinazoline-2, 4-diamine Step 1: 4-Hydroxycyclohexanecarboxylic acid ethyl ester4-Hydroxycyclohexane carboxylic acid (5g, 34.5 mmol) was heated to reflux for 16 hours in the presence of 50 mL of ethyl alcohol and 2 mL of sulfuric acid. Reaction volume was reduce by half at reduced pressure and mixture was poured into sat. Na

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4-HYDROXY-CYCLOHEXANECARBOXYLIC ACID ETHYL ESTER

CAS No.: 3618-04-0

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Guide of Cyclohexanecarboxylic acid, 4-hydroxy-, ethyl ester, trans-

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
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