Ethyl 1-hydroxycyclohexanecarboxylate

Base Information

• Chemical Name: Ethyl 1-hydroxycyclohexanecarboxylate
• CAS No.: 1127-01-1
• Molecular Formula: C9H16O3
• Molecular Weight: 172.224
• Hs Code.: 2918199890
• European Community (EC) Number: 446-570-8,682-590-5
• NSC Number: 7384
• UNII: 2PZL293290
• DSSTox Substance ID: DTXSID3041952
• Wikidata: Q27888009
• Mol file: 1127-01-1.mol

Synonyms:ethyl 1-hydroxycyclohexanecarboxylate;1127-01-1;Ethyl 1-Hydroxycyclohexane-Carboxylate;ethyl 1-hydroxycyclohexane-1-carboxylate;Cyclohexanecarboxylic acid, 1-hydroxy-, ethyl ester;NSC-7384;2PZL293290;1-Hydroxycyclohexanecarboxylic Acid Ethyl Ester;C6-hydroxyester;Ethyl 1-hydroxycyclohexylacetate;NSC7384;ethyl1-hydroxycyclohexanecarboxylate;SCHEMBL1153474;DTXSID3041952;UNII-2PZL293290;BAA12701;NSC 7384;MFCD06797659;AKOS009165461;CS-W022638;DS-3848;SB83972;ethyl 1-oxidanylcyclohexane-1-carboxylate;FT-0653789;D70683;EC 446-570-8;1-hydroxy-1-cyclohexanecarboxylic acid ethyl ester;A802634;1-hydroxy-cyclohexane-1-carboxylic acid ethyl ester;Q27888009

Chemical Property of Ethyl 1-hydroxycyclohexanecarboxylate

Chemical Property:

• Vapor Pressure: 0.0147mmHg at 25°C
• Refractive Index: 1.4532
• Boiling Point: 227.909 °C at 760 mmHg
• PKA: 13.28±0.20(Predicted)
• Flash Point: 86.187 °C
• PSA: 46.53000
• Density: 1.104 g/cm³
• LogP: 1.24470
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 172.109944368
• Heavy Atom Count: 12
• Complexity: 159

Purity/Quality:

99% ^*data from raw suppliers

1-Hydroxycyclohexanecarboxylic Acid Ethyl Ester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1(CCCCC1)O

Technology Process of Ethyl 1-hydroxycyclohexanecarboxylate

There total 9 articles about Ethyl 1-hydroxycyclohexanecarboxylate 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: 88.6%

1-hydroxy-1-cyclohexanecarbonitrile (931-97-5) + ethanol (64-17-5) → ethyl 1-hydroxycyclohexanecarboxylate (1127-01-1)

Guidance literature:

1-hydroxy-1-cyclohexanecarbonitrile; ethanol; With hydrogenchloride; at 0 - 25 ℃; for 14h;

With water; at 20 ℃;

Reference yield: 42.0%

1-hydroxy-cyclohexanecarboxylic acid (1123-28-0) + ethanol (64-17-5) → ethyl 1-hydroxycyclohexanecarboxylate (1127-01-1)

Guidance literature:

With sulfuric acid; In benzene; Heating;

Reference yield:

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → ethyl 1-hydroxycyclohexanecarboxylate (1127-01-1)

Guidance literature:

Multi-step reaction with 2 steps

2: alcoholic hydrochloric acid

With hydrogenchloride;

upstream raw materials:

1-hydroxy-cyclohexanecarboxylic acid

ethanol

1-hydroxy-1-cyclohexanecarbonitrile

ethyl cyclohexanecarboxylate

Downstream raw materials:

1-acetoxy-cyclohexanecarboxylic acid ethyl ester

1-oxa-3-aza-spiro[4.5]decane-2,4-dione 2-[(1-phenyl-ethylidene)-hydrazone]

cyclohex-1-enecarboxylic acid ethyl ester

C₂₁H₂₄N₄O₄

Refernces

• 1、 -. "Preparation method of spirodiclofen and intermediate of spirodiclofen". Paragraph 0006; 0011; 0035-0037. . Retrieved 2018/12/13.
• 2、 Carr, Graham,Whittaker, David. "Cyclic Ether Formation in Superacid Media". . p. 359 - 366. Retrieved 2007/10/02.