7-Bromo-1-heptanol

Base Information

• Chemical Name: 7-Bromo-1-heptanol
• CAS No.: 10160-24-4
• Molecular Formula: C7H15BrO
• Molecular Weight: 195.1
• Hs Code.: 29055900
• European Community (EC) Number: 628-171-2
• DSSTox Substance ID: DTXSID4064979
• Nikkaji Number: J117.518A
• Wikidata: Q72456691
• Mol file: 10160-24-4.mol

Synonyms:7-Bromo-1-heptanol;10160-24-4;7-Bromoheptan-1-ol;1-Heptanol, 7-bromo-;7-bromoheptanol;C7H15BrO;MFCD00041708;7-bromoheptane-1-ol;7-Bromo-1-heptanol, 95%;SCHEMBL347253;C7-H15-Br-O;DTXSID4064979;BBL102916;STL556725;AKOS015856498;CS-W008425;DS-1069;BP-31114;SY019463;AM20070667;B1852;FT-0649362;EN300-85127;Methyl4-amino-5-bromo-2-methoxybenzenecarboxylate;J-650198

Chemical Property of 7-Bromo-1-heptanol

Chemical Property:

• Appearance/Colour: COLORLESS TO YELLOW LIQUID
• Vapor Pressure: 0.0115mmHg at 25°C
• Refractive Index: n20/D 1.482(lit.)
• Boiling Point: 231.8 °C at 760 mmHg
• PKA: 15.18±0.10(Predicted)
• Flash Point: 98.6 °C
• PSA: 20.23000
• Density: 1.26 g/cm³
• LogP: 2.32410
• Storage Temp.: Freezer
• Water Solubility.: Slightly soluble in water.
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 194.03063
• Heavy Atom Count: 9
• Complexity: 48.2

Purity/Quality:

98%, ^*data from raw suppliers

7-Bromoheptanol ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(CCCO)CCCBr
• Uses: 7-Bromo-1-heptanol was used in the synthesis of (9Z,12E)-[1-13C]-octadeca-9,12-dienoic acid and(9Z,12Z,15E)-[1-13C]-octadeca-9,12,15-trienoic acid. It can be used to prepare N-substituted [(carboxymethyl)phenoxy]ethyl benzoxazinones as PPARγ agonists and antidiabetic (type 2) agents. It can also be used to prepare thiochroman and chroman derivatives as pure antiestrogens.

Technology Process of 7-Bromo-1-heptanol

There total 14 articles about 7-Bromo-1-heptanol 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%

1,7-heptandiol (629-30-1) → 7-bromoheptyl alcohol (10160-24-4)

Guidance literature:

With hydrogen bromide; In toluene; at 120 ℃; for 41h;

DOI:10.1016/j.bmcl.2021.128441

Reference yield: 96.0%

7-bromoheptanoic acid (30515-28-7) → 7-bromoheptyl alcohol (10160-24-4)

Guidance literature:

With tetrafluoroboric acid-diethyl ether complex; In tetrahydrofuran;

DOI:10.1016/S0960-894X(98)00595-2

Reference yield: 95.5%

7-chloro-1-heptanol (55944-70-2) → 7-bromoheptyl alcohol (10160-24-4)

Guidance literature:

With sodium bromide; In butanone; Heating;

upstream raw materials:

ethyl 7-bromoheptanoate

1,7-heptandiol

methyl 7-bromoheptanoate

8-Bromo-1-octene

Downstream raw materials:

7-(phenylseleno)heptan-1-ol

7-bromoheptanal

7-Bromo-1-tert-butyldiphenylsilyloxyheptane

1-bromo-7-fluoroheptane

Refernces

• 1、 Chong, J. Michael,Heuft, Matthew A.,Rabbat, Phil. "Solvent effects on the monobromination of α,ω-diols: A convenient preparation of ω-bromoalkanols". . p. 5837 - 5838. Retrieved 2000.
• 2、 Singh, Ashima,Sharma,Singh, Jasvinder. "New synthesis of nematocidal natural products dithiocynates thiocyanatin A and 1,8,16-trihydroxyhexadecane". . p. 1029 - 1034. Retrieved 2009.
• 3、 Ohta, Tetsuo,Kamiya, Masahiro,Kusui, Keisuke,Michibata, Tsugumi,Nobutomo, Mami,Furukawa, Isao. "Rhodium-catalyzed reduction of esters to alcohols using diphenylsilane". . p. 6963 - 6966. Retrieved 1999.
• 4、 Yan, Xibo,Delgado, Marco,Fu, Amy,Alcouffe, Pierre,Gouin, Sebastien G.,Fleury, Etienne,Katz, Joseph L.,Ganachaud, Francois,Bernard, Julien. "Simple but precise engineering of functional nanocapsules through nanoprecipitation". . p. 6910 - 6913. Retrieved 2014.
• 5、 Ohta, Tetsuo,Kamiya, Masahiro,Nobutomo, Mami,Kusui, Keisuke,Furukawa, Isao. "Reduction of carboxylic acid derivatives using diphenylsilane in the presence of a Rh-PPh3 complex". . p. 1856 - 1861. Retrieved 2005.
• 6、 Tonoi, Takayuki,Ikeda, Miyuki,Sato, Teruyuki,Inohana, Takehiko,Kawahara, Ryo,Murata, Takatsugu,Shiina, Isamu. "Total Synthesis of the Antitumor Depsipeptide FE399 and Its S-Benzyl Derivative: A Macrolactamization Approach". . p. 5119 - 5125. Retrieved 2020.
• 7、 Yadav,Srinivas, Dale,Reddy, Gondi Sudershan. "A mild and versatile method for the tetrahydropyranylation of alcohols and their detetrahydropyranylation". . p. 1399 - 1404. Retrieved 1998.
• 8、 Klein,J.,Gurfinkel,E.. "-". . p. 3952 - 3958. Retrieved 1969.
• 9、 Akakabe, Yoshihiko,Washizu, Kensuke,Matsui, Kenji,Kajiwara, Tadahiko. "Concise synthesis of (8Z,11Z,14Z)-8,11,14-heptadecatrienal, (7Z,10Z,13Z)-7,10,13-hexadecatrienal, and (8Z,11Z)-8,11-heptadecadienal, components of the essential oil of marine green alga Ulva pertusa". . p. 1348 - 1352. Retrieved 2005.
• 10、 Lin, Quan,Ma, Guobin,Gong, Hegui. "Ni-Catalyzed Formal Cross-Electrophile Coupling of Alcohols with Aryl Halides". . p. 14102 - 14109. Retrieved 2021/11/20.