2-Cyclohexyl-1,3-propanediol

Base Information

• Chemical Name: 2-Cyclohexyl-1,3-propanediol
• CAS No.: 2612-32-0
• Molecular Formula: C9H18 O2
• Molecular Weight: 158.241
• UNII: SFI58123IQ
• DSSTox Substance ID: DTXSID60180756
• Wikidata: Q27289184
• Mol file: 2612-32-0.mol

Synonyms:2-cyclohexylpropane-1,3-diol;2-Cyclohexyl-1,3-propanediol;2612-32-0;1,3-Propanediol, 2-cyclohexyl-;BRN 2072291;UNII-SFI58123IQ;SFI58123IQ;SCHEMBL1129491;2-cyclohexyl 1,3-pro-panediol;DTXSID60180756;CAA61232;LS-120300;CS-0437396;E84694;EN300-760977;Q27289184

Chemical Property of 2-Cyclohexyl-1,3-propanediol

Chemical Property:

• Vapor Pressure: 0.000352mmHg at 25°C
• Boiling Point: 284.1°C at 760 mmHg
• Flash Point: 134.4°C
• Density: 1.03g/cm³
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 158.130679813
• Heavy Atom Count: 11
• Complexity: 93.7

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)C(CO)CO

Technology Process of 2-Cyclohexyl-1,3-propanediol

There total 9 articles about 2-Cyclohexyl-1,3-propanediol 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: 100.0%

diethyl 2-cyclohexylmalonate (2163-44-2) → 2-cyclohexylpropane-1,3-diol (2612-32-0)

Guidance literature:

With lithium aluminium tetrahydride;

DOI:10.1016/S0960-894X(02)00525-5

Reference yield: 55.0%

2-phenylpropane-1, 3-diol (1570-95-2) → 2-cyclohexylpropane-1,3-diol (2612-32-0)

Guidance literature:

With platinum(IV) oxide; hydrogen; acetic acid; for 24h;

DOI:10.1021/jo8025912

Reference yield:

1-bromocyclohexane (108-85-0) → 2-cyclohexylpropane-1,3-diol (2612-32-0)

Guidance literature:

Multi-step reaction with 2 steps

1: methanol

2: LiAlH₄ / diethyl ether

With lithium aluminium tetrahydride; In methanol; diethyl ether;

upstream raw materials:

diethyl 2-cyclohexylmalonate

dimethyl 2-cyclohexylmalonate

sodium diethylmalonate

rac-3-acetoxycyclohexene

Downstream raw materials:

3-cyclohexyloxetane

(S)-2-Cyclohexyl-1,3-propanediol monoacetate

Acetic acid (R)-2-cyclohexyl-3-hydroxy-propyl ester

Cyclohexylmalondialdehyd

Refernces

• 1、 Strassfeld, Daniel A.,Wickens, Zachary K.,Picazo, Elias,Jacobsen, Eric N.. "Highly Enantioselective, Hydrogen-Bond-Donor Catalyzed Additions to Oxetanes". supporting information. p. 9175 - 9180. Retrieved 2020/07/13.
• 2、 Meguellati, Amel,Ahmed-Belkacem, Abdelhakim,Nurisso, Alessandra,Yi, Wei,Brillet, Rozenn,Berqouch, Nawel,Chavoutier, Laura,Fortuné, Antoine,Pawlotsky, Jean-Michel,Boumendjel, Ahcène,Peuchmaur, Marine. "New pseudodimeric aurones as palm pocket inhibitors of Hepatitis C virus RNA-dependent RNA polymerase". . p. 217 - 229. Retrieved 2016/04/05.