1,7-Dibromoheptane

Base Information

• Chemical Name: 1,7-Dibromoheptane
• CAS No.: 4549-31-9
• Molecular Formula: C7H14Br2
• Molecular Weight: 257.996
• Hs Code.: 2903399090
• European Community (EC) Number: 224-910-4
• NSC Number: 56149
• DSSTox Substance ID: DTXSID6063519
• Nikkaji Number: J80.852K
• Wikidata: Q57985148
• Mol file: 4549-31-9.mol

Synonyms:1,7-Dibromoheptane;4549-31-9;Heptamethylene dibromide;Heptane, 1,7-dibromo-;1,7-dibromo-heptane;EINECS 224-910-4;MFCD00000274;NSC 56149;AI3-11015;NSC56149;Heptane,7-dibromo-;Dibromo-1,7 heptane;NCIOpen2_002541;SCHEMBL31090;1,7-Dibromoheptane, 97%;DTXSID6063519;LVWSZGCVEZRFBT-UHFFFAOYSA-;AMY11216;STR06984;NSC-56149;AKOS015903053;CS-W010166;SY050897;D2119;FT-0607023;A24628;H11758;EN300-1073276;A826824;W-106133;1,9-Dibromnonan;1,9-dibromo-nonan;Nonane,1,9-dibromo-;1,9-Dibromononane

Chemical Property of 1,7-Dibromoheptane

Chemical Property:

• Appearance/Colour: Colorless liquid
• Vapor Pressure: 0.0172mmHg at 25°C
• Melting Point: 41.7°C
• Refractive Index: n20/D 1.503(lit.)
• Boiling Point: 263 °C at 760 mmHg
• Flash Point: 132.8 °C
• PSA: 0.00000
• Density: 1.513 g/cm³
• LogP: 3.72670
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 6
• Exact Mass: 257.94418
• Heavy Atom Count: 9
• Complexity: 40.2

Purity/Quality:

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

1,7-Dibromoheptane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T,N,Xi
• Hazard Codes: T,N,Xi
• Statements: 25-51/53
• Safety Statements: 36/37-45-60-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCCBr)CCCBr
• Uses: 1,7-Dibromoheptane was used in the synthesis of random thermotropic liquid crystalline copolyether and ternary copolyether. It was also used in the synthesis of thermotropic liquid crystalline dendrimer exhibiting a nematic phase.

Technology Process of 1,7-Dibromoheptane

There total 17 articles about 1,7-Dibromoheptane 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: 95.0%

1,7-heptandiol (629-30-1) → 1,7-dibromoheptane (4549-31-9)

Guidance literature:

With 1-(ω-sulfonic acid)propyl-3-methylimidazolium bromide; at 100 ℃; Inert atmosphere;

DOI:10.5012/jkcs.2011.55.4.685

Reference yield: 94.0%

1,7-heptandiol (629-30-1) → 7-bromoheptyl alcohol (10160-24-4) + 1,7-dibromoheptane (4549-31-9)

Guidance literature:

With hydrogen bromide; In toluene; for 72h; Heating;

DOI:10.1021/jo000291u

Reference yield: 41.0%

diazomethane (186581-53-3,908094-01-9,334-88-3) + (2E,4Z)-2,4-decadienal (25152-83-4,65909-91-3) + 1,7-Heptandiylbis(magnesiumbromid) (59321-71-0) → (2E,4Z)-2,4-decadien-1-ol (16195-71-4) + 1,7-dibromoheptane (4549-31-9) + 9-hydroxy-(10E,12Z)-octadecadien-1-oic acid methyl ester (6084-82-8,6114-34-7,6157-02-4,10075-07-7,23324-71-2,65700-62-1,69257-16-5,96393-36-1,98524-18-6,114297-06-2) + (6Z,8E,19E,21Z)-6,8,19,21-heptacosatetraene-10,18-diol

Guidance literature:

With carbon dioxide; Yield given. Multistep reaction; 1.) THF, HMPA, 1.5 h, r.t.; 2.) 3 h; 3.) ether;

DOI:10.1246/bcsj.59.2050

upstream raw materials:

1,7-heptandiol

1,7-dibenzoyl-1,7-diaminoheptane

ethene

1,1-dibromomethane

Downstream raw materials:

4-(7-bromo-heptyloxy)-phenol

N,N'-bis-(4-ethoxy-phenyl)-heptanediyldiamine

N,N'-bis-(4-bromo-phenyl)-heptanediyldiamine

3-(7-bromo-heptyloxy)-phenol

Refernces

• 1、 -. "COMPOUNDS AND USES FOR THE TREATMENT AND PREVENTION OF DISEASES AND CONDITIONS ASSOCIATE WITH OR AGGRAVATED BY IMPARED MITOPHAGY". Paragraph 0084-0086. . Retrieved 2019/10/04.
• 2、 Li, Hua,Zhu, Jiang,Liu, Juan. "Mechanism and kinetics of the synthesis of 1,7-dibromoheptane". experimental part. p. 6945 - 6954. Retrieved 2012/07/14.