trans-1,2-Dibromocyclohexane

Base Information

• Chemical Name: trans-1,2-Dibromocyclohexane
• CAS No.: 7429-37-0
• Molecular Formula: C6H10Br2
• Molecular Weight: 296.045
• Hs Code.: 29035980
• European Community (EC) Number: 231-070-2
• NSC Number: 92176
• DSSTox Substance ID: DTXSID70225304
• Nikkaji Number: J37.463F
• Mol file: 7429-37-0.mol

Synonyms:trans-1,2-Dibromocyclohexane;7429-37-0;(1r,2r)-1,2-dibromocyclohexane;trans-1.2-Dibromocyclohexane;EINECS 231-070-2;1217522-88-7;C6-H10-Br2;Cyclohexane,1,2-dibromo-,trans-;trans-1,2-Dibromcyclohexan;1beta,2alpha-Dibromocyclohexane;SCHEMBL5376743;Cyclohexane,2-dibromo-, trans-;DTXSID70225304;NSC92176;Cyclohexane, 1,2-dibromo-, trans-;NSC 92176;NSC-92176;trans-1,2-Dibromocyclohexane, 99%;AKOS017342827;rac-(1R,2R)-1,2-dibromocyclohexane;(1R,2R)-1,2-bis(bromanyl)cyclohexane;AS-59477;D90058;EN300-7419469;A839186;53023-21-5

Chemical Property of trans-1,2-Dibromocyclohexane

Chemical Property:

• Appearance/Colour: Colourless to light yellow liquid
• Vapor Pressure: 0.166mmHg at 25°C
• Melting Point: -5 °C
• Refractive Index: 1.551-1.553
• Boiling Point: 220.5 °C at 760 mmHg
• Flash Point: 91.5 °C
• PSA: 0.00000
• Density: 1.789 g/cm³
• LogP: 3.08740
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 241.91288
• Heavy Atom Count: 8
• Complexity: 62.9

Purity/Quality:

98%,99%, ^*data from raw suppliers

trans-1,2-Dibromocyclohexane ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Halogenated Cyclic Hydrocarbons
• Canonical SMILES: C1CCC(C(C1)Br)Br
• Isomeric SMILES: C1CC[C@H]([C@@H](C1)Br)Br
• Uses: trans-1,2-Dibromocyclohexane is used as pharmaceutical intermediate.

Technology Process of trans-1,2-Dibromocyclohexane

There total 79 articles about trans-1,2-Dibromocyclohexane 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%

cyclohexene (110-83-8) → trans-1,2-dibromocyclohexane (7429-37-0)

Guidance literature:

With bromine; thallium(I) acetate; In tetrachloromethane; for 0.583333h; Ambient temperature;

DOI:10.1039/P19810002608

Reference yield: 90.0%

cyclohexene (110-83-8) → trans-1,2-dibromocyclohexane (7429-37-0) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4)

Guidance literature:

With water; oxygen; lithium bromide; copper(ll) bromide; In tetrahydrofuran; at 25 ℃; under 760.051 Torr;

Reference yield: 86.0%

cyclohexane-1,2-epoxide (286-20-4) → trans-1,2-dibromocyclohexane (7429-37-0)

Guidance literature:

With [(PhNH)P₂(NPh)2]2NPh; bromine; In acetonitrile; at 20 ℃; for 7h;

DOI:10.1080/10426507.2014.906420

upstream raw materials:

quinoline

cyclohexene

2-bromocyclocyclohexanol

N-tert-butylacetamide

Downstream raw materials:

trans-1,2-dimethoxycyclohexane

(+/-)-trans-1.2-diethoxy-cyclohexane

cis-1,2-diacetoxycyclohexane

cis-1-acetoxycyclohexane-2-ol

Refernces

• 1、 White. "-". . p. 6215,6218. Retrieved 1955.
• 2、 Chan, Albert S. C.,Jiang, Yi,Meng, Shanshui,Song, Xianheng,Zhang, Hong,Zou, Yong. "Dibrominated addition and substitution of alkenes catalyzed by Mn2(CO)10". supporting information. p. 13385 - 13388. Retrieved 2021/12/17.
• 3、 Malykhin, Roman S.,Golovanov, Ivan S.,Ioffe, Sema L.,Sukhorukov, Alexey Yu.. "Tandem Deoxygenation/Halogenation of N-Oxides Under Acylation Conditions: Scope and In Situ IR Spectroscopic Study". . p. 4139 - 4148. Retrieved 2019/04/03.