2-Cyclohexylideneacetic acid

Base Information

• Chemical Name: 2-Cyclohexylideneacetic acid
• CAS No.: 1552-91-6
• Molecular Formula: C8H12 O2
• Molecular Weight: 140.182
• Hs Code.: 2916209090
• European Community (EC) Number: 688-892-3
• NSC Number: 59877
• UNII: KDW887E3XU
• DSSTox Substance ID: DTXSID50165855
• Nikkaji Number: J80.226C
• ChEMBL ID: CHEMBL323822
• Mol file: 1552-91-6.mol

Synonyms:2-cyclohexylideneacetic acid;1552-91-6;Cyclohexylideneacetic acid;Acetic acid, cyclohexylidene-;Acetic acid, 2-cyclohexylidene-;CYCLOHEXYLIDENE ACETIC ACID;Cyclohexylidene-acetic acid;.DELTA.1,.alpha.-Cyclohexaneacetic acid;NSC-59877;2-Cyclohexylideneaceticacid;Cyclohexylidenessigsaure;KDW887E3XU;2-cyclohexylidene-acetic acid;CHEMBL323822;SCHEMBL1308184;DTXSID50165855;BAA55291;NSC59877;MFCD01815140;NSC 59877;AKOS009221342;SB13648;CS-0196826;EN300-52411;5P-014;A51178;J-009184;Z352748084

Chemical Property of 2-Cyclohexylideneacetic acid

Chemical Property:

• Vapor Pressure: 0.000933mmHg at 25°C
• Melting Point: 91 °C
• Boiling Point: 281.6°Cat760mmHg
• PKA: 4.25±0.41(Predicted)
• Flash Point: 187.9°C
• PSA: 37.30000
• Density: 1.185g/cm³
• LogP: 1.96150
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 140.083729621
• Heavy Atom Count: 10
• Complexity: 151

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(=CC(=O)O)CC1

Technology Process of 2-Cyclohexylideneacetic acid

There total 50 articles about 2-Cyclohexylideneacetic acid 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: 96.0%

cyclohexylideneacetaldehyde (1713-63-9) → cyclohexylideneacetic acid (1552-91-6)

Guidance literature:

With potassium hydroxide; silver nitrate; In ethanol; water; Ambient temperature;

Reference yield: 95.0%

ethyl cyclohexylideneacetate (1552-92-7) → cyclohexylideneacetic acid (1552-91-6)

Guidance literature:

With potassium hydroxide; In methanol; at 20 ℃; for 8h;

DOI:10.1021/jm0495982

Reference yield: 83.0%

acrylic acid (79-10-7) + methylenecyclohexane (1192-37-6) → cyclohexylideneacetic acid (1552-91-6)

Guidance literature:

With ruthenium; In dichloromethane; for 3h; Heating;

DOI:10.1021/ja016386a

upstream raw materials:

methanol

1-((Z)-1,2-dibromo-vinyl)-cyclohexene

sodium methylate

1-cyclohexenylacetic acid

Downstream raw materials:

Cyclohexylacetic acid

cyclohexanone

(E)-3-(1-cyclohexen-1-yl)-2-propenoic acid

(E)-3-(cyclohex-1-en-1-yl)acrylaldehyde

Refernces

• 1、 Durchschein, Christin,Bauer, Rudolf,Kretschmer, Nadine,Hufner, Antje,Rinner, Beate,Stallinger, Alexander,Deutsch, Alexander,Lohberger, Birgit. "Synthesis of novel shikonin derivatives and pharmacological effects of cyclopropylacetylshikonin on melanoma cells". . . Retrieved 2018.
• 2、 -. "HETEROCYCLIC COMPOUNDS AS INHIBITORS OF HPK1". Page/Page column 155. . Retrieved 2021/01/29.