trans-2-Chlorocyclohexanol

Base Information

• Chemical Name: trans-2-Chlorocyclohexanol
• CAS No.: 6628-80-4
• Molecular Formula: C6H11 Cl O
• Molecular Weight: 134.606
• Hs Code.: 2906199090
• NSC Number: 59717
• DSSTox Substance ID: DTXSID80216485
• Nikkaji Number: J357.182C
• Wikidata: Q83092714
• Mol file: 6628-80-4.mol

Synonyms:trans-2-Chlorocyclohexanol;6628-80-4;Cyclohexanol, 2-chloro-, trans-;NSC 59717;Cyclohexanol, 2-chloro-, trans- (8CI)(9CI);2-Chlorocyclohexanol, (E)-;trans-2-Chlorcyclohexanol;Chlorocyclohexanol, trans-2-;SCHEMBL11692829;2alpha-Chlorocyclohexan-1beta-ol;DTXSID80216485;NSC59717;NSC-59717;(A+/-)-trans-2-chloro-cyclohexanol;AKOS004902620

Chemical Property of trans-2-Chlorocyclohexanol

Chemical Property:

• Melting Point: 29°C
• Refractive Index: 1.4899 (estimate)
• Boiling Point: 177.31°C (rough estimate)
• PKA: 14.30±0.40(Predicted)
• PSA: 20.23000
• Density: 1.1460
• LogP: 1.52870
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 134.0498427
• Heavy Atom Count: 8
• Complexity: 74.9

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(C(C1)O)Cl
• Isomeric SMILES: C1CC[C@H]([C@@H](C1)O)Cl

Technology Process of trans-2-Chlorocyclohexanol

There total 88 articles about trans-2-Chlorocyclohexanol 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: 49.4%

tert-butylhypochlorite (507-40-4) + cyclohexene (110-83-8) → 3-chloro-cyclohexene (2441-97-6) + 1-chlorocyclohexene (930-66-5) + trans-1-chloro-2-methoxycyclohexane (18424-56-1) + trans-2-chlorocyclohexanol (6628-80-4) + trans-1-chloro-2-fluorocyclohexane (20421-40-3) + trans-2-Chlorcyclohexyl-tert.butylether (51286-79-4,99175-03-8,145354-89-8)

Guidance literature:

With xenon difluoride; In tetrachloromethane; Mechanism; Product distribution; also with triethylcarbinylhypochlorite;

DOI:10.1016/S0040-4039(00)60891-2

Reference yield: 40.0%

trans-1,2-cyclohexandiol (1460-57-7) → trans-2-chlorocyclohexanol (6628-80-4) + cyclohexane-1,2-epoxide (286-20-4)

Guidance literature:

With N-chloro-succinimide; triphenylphosphine; In tetrahydrofuran; at 20 ℃; for 0.166667h;

DOI:10.1039/b614512d

Reference yield: 40.0%

C8H13ClO2 (33815-66-6,35998-47-1,36375-66-3) → cis-(1R,2S)-2-chlorocyclohexanol (931-13-5,1561-86-0,6628-80-4,16536-58-6,64363-94-6,104265-20-5,116783-28-9,122210-63-3)

Guidance literature:

With methanol; potassium carbonate; at 20 ℃;

DOI:10.1016/j.tetasy.2012.11.011

upstream raw materials:

2-Chlorocyclohexanone

cis-2-chlorocyclohexanol

2-chlorocyclohexanol

C₈H₁₃ClO₂

Downstream raw materials:

(R)-3,3,3-Trifluoro-2-methoxy-2-phenyl-propionic acid (1R,2S)-2-chloro-cyclohexyl ester

1-cyclopentylethan-1-ol

(+/-)-trans-2-methylcyclohexanol

2-Methylcyclohexanol

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