1-Bromo-4-(bromomethyl)naphthalene

Base Information

• Chemical Name: 1-Bromo-4-(bromomethyl)naphthalene
• CAS No.: 79996-99-9
• Molecular Formula: C11H8 Br2
• Molecular Weight: 299.993
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID80508837
• Nikkaji Number: J3.204.820J
• Wikidata: Q72452097
• Mol file: 79996-99-9.mol

Synonyms:1-BROMO-4-(BROMOMETHYL)NAPHTHALENE;79996-99-9;MFCD07363811;Naphthalene, 1-bromo-4-(bromomethyl)-;SCHEMBL1229310;DTXSID80508837;1-bromo-4-bromomethyl naphthaline;1-bromo-4-bromomethyl-naphthalene;FHXASJKBBLIBAQ-UHFFFAOYSA-N;4-bromo-1-(bromomethyl)naphthalene;AKOS015835602;AB30817;AS-18055;SY033074;C76559;A864770

Chemical Property of 1-Bromo-4-(bromomethyl)naphthalene

Chemical Property:

• Melting Point: 102-105 oC (hexane )**
• Boiling Point: 195-210 °C
• PSA: 0.00000
• Density: 1.772±0.06 g/cm3 (20 oC 760 Torr), Calc.
• LogP: 4.49720
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 299.89723
• Heavy Atom Count: 13
• Complexity: 170

Purity/Quality:

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

1-Bromo-4-(bromomethyl)naphthalene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=CC=C2Br)CBr

Technology Process of 1-Bromo-4-(bromomethyl)naphthalene

There total 14 articles about 1-Bromo-4-(bromomethyl)naphthalene 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: 94.0%

1-bromo-4-methylnaphthalene (6627-78-7) → 1-bromo-4-bromomethyl-naphthalene (79996-99-9)

Guidance literature:

With N-Bromosuccinimide; dibenzoyl peroxide; In tetrachloromethane; Heating;

DOI:10.1002/ejoc.200500835

Reference yield: 84.5%

(4-bromonaphthalen-1-yl)methanol (56052-26-7) → 1-bromo-4-bromomethyl-naphthalene (79996-99-9)

Guidance literature:

With pyridine; phosphorus tribromide; In benzene; at 55 ℃; for 6h;

Reference yield: 84.0%

1-Methylnaphthalene (90-12-0,34475-76-8) → 1-bromo-4-bromomethyl-naphthalene (79996-99-9)

Guidance literature:

1-Methylnaphthalene; With N-Bromosuccinimide; trityl tetrafluoroborate; In dichloromethane; acetonitrile; at 20 ℃; for 2h; Irradiation; Inert atmosphere;

In benzene; at 20 ℃; for 16h; chemoselective reaction; Inert atmosphere;

DOI:10.1002/adsc.201800788

upstream raw materials:

1-bromo-4-methylnaphthalene

2-(bromomethyl)naphthalene

formaldehyd

1-Bromonaphthalene

Downstream raw materials:

C₂₁H₁₉NO₃

C₁₈H₁₄O₃

C₁₇H₁₃BrO

4-bromo-naphthalene-1-carboxylic acid methyl ester

Refernces

• 1、 Boekelheide,Goldman. "-". . p. 604. Retrieved 1954.
• 2、 Liu, Chengxin,Cui, Jin,Wang, Yufang,Zhang, Mingjie. "A new 2D Cu-MOF constructed from carboxylate ligands containing C-H?π interactions as a recyclable responsive luminescent sensor for VOCs". supporting information. p. 4124 - 4128. Retrieved 2021/04/06.
• 3、 -. "COMPOUNDS FOR INHIBITION OF ALPHA 4β7 INTEGRIN". Paragraph 0392; 0393. . Retrieved 2020/05/29.