6-Bromo-1-hexanol

Base Information

• Chemical Name: 6-Bromo-1-hexanol
• CAS No.: 4286-55-9
• Molecular Formula: C6H13BrO
• Molecular Weight: 181.073
• Hs Code.: 29055900
• European Community (EC) Number: 610-072-0
• UNII: 3U3A1ZLY0T
• DSSTox Substance ID: DTXSID2063397
• Nikkaji Number: J421.718G
• Wikidata: Q27095373
• Metabolomics Workbench ID: 149072
• ChEMBL ID: CHEMBL1231334
• Mol file: 4286-55-9.mol

Synonyms:6-Bromo-1-hexanol;4286-55-9;6-BROMOHEXAN-1-OL;6-Bromohexanol;1-Hexanol, 6-bromo-;Hexamethylene bromohydrin;6-bromo-hexan-1-ol;6-hydroxyhexyl bromide;C6H13BrO;MFCD00002983;3U3A1ZLY0T;6-bromo-hexanol;6-bromo-l-hexanol;1-bromo-6-hexanol;1-bromohexan-6-ol;6-bromo- 1-Hexanol;6-bromo- 1 -hexanol;UNII-3U3A1ZLY0T;SCHEMBL34356;6-Bromo-1-hexanol, 97%;C6-H13-Br-O;Ethyl (4-fluorobenzoyl)formate;CHEMBL1231334;DTXSID2063397;FCMCSZXRVWDVAW-UHFFFAOYSA-;AMY2822;6-Bromo-1-hexanol (high purity);BBL103898;STL557708;AKOS007930799;CS-W017171;DB04637;DS-4962;BP-31084;SY017128;B1822;FT-0600391;EN300-85129;A826039;J-640342;J-650298;J-800345;J-802158;Q27095373;Z1255398867;5,6-dichloro-N-(4-chloro-6-methyl-pyrimidin-2-yl)-1H-benzimidazol-2-amine

Chemical Property of 6-Bromo-1-hexanol

Chemical Property:

• Appearance/Colour: colourless or light yellow liquid
• Vapor Pressure: 0.0886mmHg at 25°C
• Refractive Index: n20/D 1.482(lit.)
• Boiling Point: 198.9 °C at 760 mmHg
• PKA: 15.16±0.10(Predicted)
• Flash Point: 95.6 °C
• PSA: 20.23000
• Density: 1.309 g/cm³
• LogP: 1.93400
• Storage Temp.: 2-8°C
• Solubility.: Soluble in chloroform and methanol.
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 180.01498
• Heavy Atom Count: 8
• Complexity: 39.5

Purity/Quality:

99% ^*data from raw suppliers

6-Bromo-1-hexanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Halogenated Alcohols
• Canonical SMILES: C(CCCBr)CCO
• Uses: A product for proteomics research A product for proteomics research. Also used as a reagent in the preparation of nitric oxide-donating analogues of Sulindac (S699215), a non-steroidal anti-inflammatory drug that has the ability to prevent colon cancer. 6-Bromo-1-hexanol is a useful synthetic intermediate. 6-Bromo-1-hexanol is used as a reagent in the preparation of nitric oxide-donating analogues of Sulindac (S699215), a non-steroidal anti-inflammatory drug that has the ability to prevent colon cancer.

Technology Process of 6-Bromo-1-hexanol

There total 27 articles about 6-Bromo-1-hexanol 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%

6-bromohexanoic acid (4224-70-8) → 1-bromo-6-hexanol (4286-55-9)

Guidance literature:

With dimethylsulfide borane complex;

DOI:10.1021/ja9624432

Reference yield: 98.0%

1,6-hexanediol (629-11-8) → 1-bromo-6-hexanol (4286-55-9)

Guidance literature:

With hydrogen bromide; In water; toluene; for 2h; Heating / reflux;

Reference yield: 97.0%

6-bromo-hexanoic acid ethyl ester (25542-62-5) → 1-bromo-6-hexanol (4286-55-9)

Guidance literature:

upstream raw materials:

1,6-hexanediol

6-bromohexanoic acid

oxepane

(chloro-6' hexyloxy)-2 tetrahydropyranne

Downstream raw materials:

oxepane

6-bromohexanoic acid

(6-bromohexyl)-trimethylsilyl ether

6-bromo-1-hexyl acrylate

Refernces

• 1、 Spring, Andrew M.,Estrada, Leandro A.,Vasilyeva, Svetlana V.,Rinzler, Andrew G.,Reynolds, John R.. "Carbon nanotube adsorptive materials derived from acid degradable poly(acetals)". . p. 2556 - 2560. Retrieved 2014.
• 2、 Kress, Katharina C.,Kaller, Martin,Axenov, Kirill V.,Tussetschlaeger, Stefan,Laschat, Sabine. "Synthesis and mesomorphic properties of calamitic malonates and cyanoacetates tethered to 4-cyanobiphenyls". . p. 371 - 378. Retrieved 2012.
• 3、 He, Jing,Baldwin, Jack E.,Lee, Victor. "Studies towards the Synthesis of the Antibiotic Tetrodecamycin". . p. 1117 - 1121. Retrieved 2018.
• 4、 Zheng, Li-Qing,Yang, Sirun,Lan, Jinggang,Gyr, Luzia,Goubert, Guillaume,Qian, Hai,Aprahamian, Ivan,Zenobi, Renato. "Solution Phase and Surface Photoisomerization of a Hydrazone Switch with a Long Thermal Half-Life". supporting information. p. 17637 - 17645. Retrieved 2019/11/05.