1-Bromo-3,5-bis(bromomethyl)benzene

Base Information

• Chemical Name: 1-Bromo-3,5-bis(bromomethyl)benzene
• CAS No.: 51760-23-7
• Molecular Formula: C8H7Br3
• Molecular Weight: 342.856
• Hs Code.: 2903999090
• European Community (EC) Number: 939-347-6
• DSSTox Substance ID: DTXSID50401649
• Nikkaji Number: J1.358.712D
• Wikidata: Q82204858
• Mol file: 51760-23-7.mol

Synonyms:51760-23-7;1-bromo-3,5-bis(bromomethyl)benzene;Benzene, 1-bromo-3,5-bis(bromomethyl)-;1,3-Bis(bromomethyl)-5-bromobenzene;5-Bromo-1,3-bis(bromomethyl)benzene;SCHEMBL642402;3,5-Bis(bromomethyl)bromobenzene;DTXSID50401649;AMY28240;BCA76023;MFCD00192715;AKOS025393308;CG-0013;J-519671

Chemical Property of 1-Bromo-3,5-bis(bromomethyl)benzene

Chemical Property:

• Melting Point: 97.5-99.0 °C
• Boiling Point: 343.0±32.0 °C(Predicted)
• PSA: 0.00000
• Density: 2.082±0.06 g/cm3(Predicted)
• LogP: 4.23890
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 341.80774
• Heavy Atom Count: 11
• Complexity: 104

Purity/Quality:

98% ^*data from raw suppliers

1,3-Bis(bromomethyl)-5-bromobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1CBr)Br)CBr

Technology Process of 1-Bromo-3,5-bis(bromomethyl)benzene

There total 5 articles about 1-Bromo-3,5-bis(bromomethyl)benzene 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: 49.0%

5-bromo-1,3-xylene (556-96-7) → 1-bromo-3-bromomethyl-5-dibromomethyl-benzene + 1-bromo-3,5-bis(bromomethyl)benzene (51760-23-7) + 1-bromo-3-(bromomethyl)-5-methylbenzene (51719-69-8)

Guidance literature:

With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); In dichloromethane; for 30.5h; Reflux;

DOI:10.5802/crchim.99

Reference yield:

dimethyl 5-bromoisophthalate (51760-21-5) → 1-bromo-3,5-bis(bromomethyl)benzene (51760-23-7)

Guidance literature:

Multi-step reaction with 2 steps

1: LiAlH₄ / tetrahydrofuran

2: PBr₃ / benzene

With lithium aluminium tetrahydride; phosphorus tribromide; In tetrahydrofuran; benzene;

DOI:10.1021/ja00812a047

Reference yield:

5-bromoisophthalic acid (23351-91-9) → 1-bromo-3,5-bis(bromomethyl)benzene (51760-23-7)

Guidance literature:

Multi-step reaction with 3 steps

1: H₂SO₄

2: LiAlH₄ / tetrahydrofuran

3: PBr₃ / benzene

With lithium aluminium tetrahydride; sulfuric acid; phosphorus tribromide; In tetrahydrofuran; benzene;

DOI:10.1021/ja00812a047

upstream raw materials:

dimethyl 5-bromoisophthalate

5-bromoisophthalic acid

5-bromo-1,3-xylene

Downstream raw materials:

diethyl <<3-bromo-5-(bromomethyl)phenyl>methyl>phosphonate

2,2'-(5-bromo-1,3-phenylene)bis(2-methylpropanenitrile)

1,1'-((5-bromo-1,3-phenylene)bis(methylene))bis(1H-pyrazole)

1-bromo-3,5-bis(diethoxyphosphorylmethyl)benzene

Refernces

• 1、 Wesseling, Charlotte M. J.,Slingerland, Cornelis J.,Veraar, Shanice,Lok, Samantha,Martin, Nathaniel I.. "Structure-Activity Studies with Bis-Amidines That Potentiate Gram-Positive Specific Antibiotics against Gram-Negative Pathogens". . p. 3314 - 3335. Retrieved 2021/11/24.
• 2、 -. "ENDOSOMOLYTIC AGENTS FOR GENE THERAPY". . . Retrieved 2018/04/17.