1-(Bromomethyl)-2,3-dimethylbenzene

Base Information

• Chemical Name: 1-(Bromomethyl)-2,3-dimethylbenzene
• CAS No.: 81093-21-2
• Molecular Formula: C9H11 Br
• Molecular Weight: 199.09
• Hs Code.: 2903999090
• European Community (EC) Number: 688-415-9
• DSSTox Substance ID: DTXSID50146321
• Nikkaji Number: J2.130.519G
• Wikidata: Q83011119
• Mol file: 81093-21-2.mol

Synonyms:1-(bromomethyl)-2,3-dimethylbenzene;81093-21-2;2,3-Dimethylbenzyl bromide;104155-11-5;2,3-Dimethylbenzyl bromide;Benzene, (bromomethyl)dimethyl-;1-(bromomethyl)-2,3-dimethyl-benzene;MFCD03844741;2,3-dimethylbenzylbromide;SCHEMBL1281831;9-Fluorenone-4-carbonylchloride;DTXSID50146321;UFYRPPWFKLXRQV-UHFFFAOYSA-N;1-Bromomethyl-2,3-dimethylbenzene;AKOS010899177;AM84243;CS-W004903;GS-4113;FT-0641807;EN300-1898215;A840038;J-503508;methyl N-[3-(methoxycarbonylamino)-4-methyl-phenyl]carbamate;2,3-Dimethylbenzyl Bromide

Chemical Property of 1-(Bromomethyl)-2,3-dimethylbenzene

Chemical Property:

• Vapor Pressure: 0.0606mmHg at 25°C
• Boiling Point: 240℃
• Flash Point: 105℃
• PSA: 0.00000
• Density: 1.314
• LogP: 3.19830
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 198.00441
• Heavy Atom Count: 10
• Complexity: 101

Purity/Quality:

98%min ^*data from raw suppliers

1-(Bromomethyl)-2,3-dimethylbenzene ^*data from reagent suppliers

Safty Information:

• Statements: 34-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)CBr)C

Technology Process of 1-(Bromomethyl)-2,3-dimethylbenzene

There total 4 articles about 1-(Bromomethyl)-2,3-dimethylbenzene 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: 93.0%

(2,3-dimethylphenyl)methanol (13651-14-4) → 1-(bromomethyl)-2,3-dimethylbenzene (81093-21-2)

Guidance literature:

With phosphorus tribromide; In dichloromethane; at 0 - 20 ℃; for 12h;

DOI:10.1021/np5001158

Reference yield:

2,3-dimethylbenzoic acid (603-79-2) → 1-(bromomethyl)-2,3-dimethylbenzene (81093-21-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 95 percent / LiAlH₄

2: 86 percent / HBr / acetic acid

With lithium aluminium tetrahydride; hydrogen bromide; In acetic acid;

DOI:10.1002/hlca.19900730105

Reference yield:

2,3-dimethylbenzaldehyde (5779-93-1) → 1-(bromomethyl)-2,3-dimethylbenzene (81093-21-2)

Guidance literature:

Multi-step reaction with 2 steps

1: lithium aluminium tetrahydride / tetrahydrofuran / 0 - 20 °C

2: phosphorus tribromide / dichloromethane / 12 h / 0 - 20 °C

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

DOI:10.1021/np5001158

upstream raw materials:

(2,3-dimethylphenyl)methanol

2,3-dimethylbenzoic acid

2,3-dimethylbenzaldehyde

Downstream raw materials:

(2,3-dimethylbenzyl)triphenylphosphonium bromide

N-Boc-(S)-2',3'-dimethylphenylalanine

(S)-N-(2-benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide

C₂₄H₂₂N₆S

Refernces

• 1、 Tummatorn, Jumreang,Thongsornkleeb, Charnsak,Ruchirawat, Somsak,Gettongsong, Tanita. "Synthesis of 2,4-unsubstituted quinoline-3-carboxylic acid ethyl esters from arylmethyl azides via a domino process". supporting information. p. 1463 - 1467. Retrieved 2013/05/08.
• 2、 Kaliakoudas, Dimitrios,Eugster, Conrad Hans,Rueedi, Peter. "4. Synthese von Plectranthonen, diterpenoiden Phenanthren-1,4-chinonen". . p. 48 - 62. Retrieved 2007/10/02.