4,5-Dibromoveratrole

Base Information

• Chemical Name: 4,5-Dibromoveratrole
• CAS No.: 37895-73-1
• Molecular Formula: C8H8Br2O2
• Molecular Weight: 295.958
• Hs Code.: 2909309090
• European Community (EC) Number: 253-705-2
• UNII: D9DU4YZ2JF
• DSSTox Substance ID: DTXSID40191325
• Nikkaji Number: J261.264J
• Wikidata: Q83063839
• Mol file: 37895-73-1.mol

Synonyms:1,2-dibromo-4,5-dimethoxybenzene;4,5-Dibromoveratrole;37895-73-1;C8H8Br2O2;Benzene, 1,2-dibromo-4,5-dimethoxy-;D9DU4YZ2JF;4,5-Dibromo-1,2-dimethoxybenzene;EINECS 253-705-2;MFCD00014894;4,5-DIBROMOVERATROL;UNII-D9DU4YZ2JF;SCHEMBL369991;C8-H8-Br2-O2;DTXSID40191325;1.2-dibromo-4.5-dimethoxy-benzene;AKOS000120639;s10889;AS-60843;BP-13417;SY109429;1,2-bis(bromanyl)-4,5-dimethoxy-benzene;CS-0150615;D5019;FT-0617151;EN300-18406;A823925;Z57463255

Chemical Property of 4,5-Dibromoveratrole

Chemical Property:

• Vapor Pressure: 0.00451mmHg at 25°C
• Melting Point: 90-92°C
• Refractive Index: 1.561
• Boiling Point: 286.6 °C at 760 mmHg
• Flash Point: 114.5 °C
• PSA: 18.46000
• Density: 1.742 g/cm³
• LogP: 3.22880
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Insoluble in water.
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 295.88706
• Heavy Atom Count: 12
• Complexity: 127

Purity/Quality:

99.0% ^*data from raw suppliers

4,5-Dibromoveratrole ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1OC)Br)Br
• Uses: 4,5-Dibromoveratrole is used as chemical intermediates.

Technology Process of 4,5-Dibromoveratrole

There total 18 articles about 4,5-Dibromoveratrole 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: 99.5%

1,2-dimethoxybenzene (91-16-7) → 1,2-dibromo-4,5-dimethoxybenzene (37895-73-1)

Guidance literature:

With bromine; iodine; In dichloromethane; for 3h;

DOI:10.1016/j.tetlet.2004.07.116

Reference yield: 99.0%

4-Bromoveratrole (2859-78-1) → 1,2-dibromo-4,5-dimethoxybenzene (37895-73-1)

Guidance literature:

With N-Bromosuccinimide; chloro-trimethyl-silane; In acetonitrile; at 20 ℃; for 1h; regioselective reaction;

DOI:10.1055/s-0034-1378225

Reference yield: 93.0%

1,2-dimethoxybenzene (91-16-7) → 1,2-dibromo-4,5-dimethoxybenzene (37895-73-1) + 4-Bromoveratrole (2859-78-1)

Guidance literature:

With oxygen; 1,1-dibromomethane; at 50 ℃; for 1h;

DOI:10.1002/asia.201200322

upstream raw materials:

1,2-dimethoxybenzene

1,2-dibromo-4-hydroxy-5-methoxybenzene

4,5-dibromobenzene-1,2-diol

diazomethane

Downstream raw materials:

2-(2-bromo-4,5-dimethoxyphenyl)-1-[3-N-(4-methylbenzenesulfonamido)-2-thienyl]ethanone

2-(2-bromo-4,5-dimethoxyphenyl)-1-[2-N-(4-methylbenzenesulfonamido)phenyl]ethanone

2-(2-bromo-4,5-dimethoxyphenyl)-1-[4,5-dimethoxy-2-N-(4-methylbenzenesulfonamido)phenyl]ethanone

(3S,3aR)-3a-hydroxymethyl-6,7-dimethoxy-3-phenyl-2-tosyl-2,3,3a,4,9,9a-hexahydro-1H-benzo[f]isoindole

Refernces

• 1、 Zhang, Zhe,Wang, Heng,Wang, Xu,Li, Yiming,Song, Bo,Bolarinwa, Olapeju,Reese, R. Alexander,Zhang, Tong,Wang, Xu-Qing,Cai, Jianfeng,Xu, Bingqian,Wang, Ming,Liu, Changlin,Yang, Hai-Bo,Li, Xiaopeng. "Supersnowflakes: Stepwise Self-Assembly and Dynamic Exchange of Rhombus Star-Shaped Supramolecules". . p. 8174 - 8185. Retrieved 2017.
• 2、 Reynes, Mathias,Dautel, Olivier J.,Virieux, David,Flot, David,Moreau, Joel J. E.. "Synthesis and crystal structure of tris(2,3-triphenylenedioxy) cyclotriphosphazene: A new clathration system". . p. 6050 - 6056. Retrieved 2011.
• 3、 Hao, Xin-Qi,Hla, Saw-Wai,Li, Xiaohong,Li, Xiaopeng,Li, Yiming,Li, Zhikai,Lu, Shuai,Song, Bo,Tu, Yingfeng,Wang, Heng,Zhang, Yuan,Zhao, Yiming. "Synthesis of Metallopolymers and Direct Visualization of the Single Polymer Chain". supporting information. p. 6196 - 6205. Retrieved 2020/04/27.