ChemicalBook--->CAS DataBase List--->906673-45-8

906673-45-8

906673-45-8 Structure

906673-45-8 Structure
IdentificationBack Directory
[Name]

4-(4-broMo-3-(hydroxyMethyl)phenoxy)benzonitrile
[CAS]

906673-45-8
[Synonyms]

Crisaborole Intermediate 1
2-bromo-5-(4-cyanophenoxy)benzyl alcohol
2-Bromo-5-(4-cyanophenoxyl)benzyl alcohol
4-(4-broMo-3-(hydroxyMethyl)phenoxy)benzonitrile
Benzonitrile, 4-[4-bromo-3-(hydroxymethyl)phenoxy]-
[Molecular Formula]

C14H10BrNO2
[MDL Number]

MFCD12165918
[MOL File]

906673-45-8.mol
[Molecular Weight]

304.14
Chemical PropertiesBack Directory
[Boiling point ]

447.6±45.0 °C(Predicted)
[density ]

1.57±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

13.96±0.10(Predicted)
[Appearance]

Light yellow to yellow Solid
[InChI]

InChI=1S/C14H10BrNO2/c15-14-6-5-13(7-11(14)9-17)18-12-3-1-10(8-16)2-4-12/h1-7,17H,9H2
[InChIKey]

DAMOSKSUIVLOJT-UHFFFAOYSA-N
[SMILES]

C(#N)C1=CC=C(OC2=CC=C(Br)C(CO)=C2)C=C1
Questions And AnswerBack Directory
[Uses]

4-(4-Bromo-3-(hydroxymethyl)phenoxy)benzonitrile is a useful research chemical.
Safety DataBack Directory
[Symbol(GHS) ]

GHS hazard pictograms
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P280-P305+P351+P338
Hazard InformationBack Directory
[Chemical Properties]

Class white powder
[Synthesis]

4-(4-Bromo-3-formyl-phenoxy)-benzonitrile

906673-54-9

4-(4-broMo-3-(hydroxyMethyl)phenoxy)benzonitrile

906673-45-8

The general procedure for the synthesis of 4-(4-bromo-3-(hydroxymethyl)phenoxy)benzonitrile from 4-(4-bromo-3-formylphenoxy)benzonitrile was as follows: 100 g of 4-(4-bromo-3-formylphenoxy)benzonitrile (VI) was dissolved in 500 mL of methanol at 25-30 °C, and subsequently cooled to 10-15 °C. While maintaining 10-15 °C, 6.2 g of sodium borohydride was slowly added for 60-90 min. After the addition was completed, the temperature of the reaction system was slowly increased to 15-20°C. Upon completion of the reaction, 1000 mL of water was added to the reaction mixture and stirred at 25-30 °C for 1 hour. The resulting solid product was collected by vacuum filtration, washed with water and dried under vacuum at not more than 55 °C to obtain 4-(4-bromo-3-(hydroxymethyl)phenoxy)benzonitrile (V). Yield: 99.0%; purity: 99.02%.

[References]

[1] Bioorganic and Medicinal Chemistry Letters, 2009, vol. 19, # 8, p. 2129 - 2132
[2] Patent: WO2018/207216, 2018, A1. Location in patent: Page/Page column 10
[3] Patent: CN108659024, 2018, A. Location in patent: Paragraph 0038-0039
[4] Patent: WO2018/115362, 2018, A1. Location in patent: Paragraph 0121
[5] Patent: US2007/293457, 2007, A1. Location in patent: Page/Page column 39-40
Spectrum DetailBack Directory
[Spectrum Detail]

4-(4-broMo-3-(hydroxyMethyl)phenoxy)benzonitrile(906673-45-8)1HNMR
906673-45-8 suppliers list
Company Name: Biviture Industrial Limited
Tel: +86-17786030126 +86-15618393860 , +86-15618393860
Website: biviture.com/
Company Name: Hebei Xinsheng New Material Technology Co., LTD.
Tel: +86-16632316109 , +86-16632316109
Website: www.xsmaterial.com/admin/
Company Name: Henan Fengda Chemical Co., Ltd
Tel: +86-371-86557731 +86-13613820652 , +86-13613820652
Website: www.fdachem.com
Company Name: Shanghai Daken Advanced Materials Co.,Ltd
Tel: +86-2158073036
Website: www.dakenchem.com/
Company Name: Beijing Cooperate Pharmaceutical Co.,Ltd
Tel: 010-60279497
Website: http://www.cooperate-pharm.com
Company Name: ATK CHEMICAL COMPANY LIMITED
Tel: +undefined-21-51877795
Website: www.atkchemical.com
Company Name: Anqing Chico Pharmaceutical Co., Ltd.
Tel: 15380796838
Website: www.chemicalbook.com/ShowSupplierProductsList30721/0_EN.htm
Company Name: career henan chemical co
Tel: +86-0371-86658258 +8613203830695 , +8613203830695
Website: www.coreychem.com/
Company Name: Alchem Pharmtech,Inc.
Tel: 8485655694
Website: www.chemicalbook.com/ShowSupplierProductsList454175/0_EN.htm
Company Name: Shanghai Jinghao Pharmaceutical Co.,Ltd
Tel: +86-21-68900963
Website: www.jinghaopharma.com/en
Company Name: Shenzhen Excellent Biotech Co., Ltd.
Tel: 13480692018
Website: www.chemicalbook.com/ShowSupplierProductsList1588779/0_EN.htm
Company Name: Shanghai Yingrui Biopharma Co.,Ltd
Tel: 21-33585366
Website: www.shyrchem.com
Company Name: Jinan Honest Pharm Co., Ltd
Tel: +8615318812076 , +8615318812076
Website: www.jnhonestpharm.com/en/
Company Name: SHANGHAI T&W PHARMACEUTICAL CO., LTD.
Tel: +86-021-61551413 +8618813727289 , +8618813727289
Website: http://www.trustwe.com/
Company Name: Chengdu Aslee Biopharmaceuticals, Inc.
Tel: 28-85305008
Website: www.chemicalbook.com/ShowSupplierProductsList778448/0_EN.htm
Company Name: Aktin Chemicals, Inc.
Tel: 028-85159085
Website: www.aktinchem.com
Company Name: Finetech Industry Limited
Tel: +86-27-8746-5837 +8619945049750 , +8619945049750
Website: https://www.finetechnology-ind.com/
Company Name: CD Chemical Group Limited
Tel: +8615986615575 , +8615986615575
Website: http://www.codchem.com/
Tags:906673-45-8 Related Product Information
106-40-1 618-31-5 1217366-74-9