1532-97-4

Directory

1532-97-4 Structure

Identification	More
[Name] 4-Bromoisoquinoline
[CAS] 1532-97-4
[Synonyms] 4-BROMOISOQUINOLINE LABOTEST-BB LT01143353 4-bromoisoqunoline 4-Bromoisquinoline 4-Isoquinolinyl Bromide NSC 56333 4-Bromoisoquinoline ,98%
[EINECS(EC#)] 216-244-8
[Molecular Formula] C9H6BrN
[MDL Number] MFCD00006904
[Molecular Weight] 208.05
[MOL File] 1532-97-4.mol

Chemical Properties	Back Directory
[Appearance] Pale Yellow Solid
[Melting point ] 40-43 °C (lit.)
[Boiling point ] 280-285 °C (lit.)
[density ] 1.5617 (rough estimate)
[refractive index ] 1.6641 (estimate)
[Fp ] >230 °F
[storage temp. ] Refrigerator (+4°C)
[solubility ] Chloroform, Methanol
[form ] Crystalline Solid
[pka] 3.30±0.10(Predicted)
[color ] White to light beige
[Usage] Shows selective inhibition of cAMP-dependent protein kinase
[Detection Methods] HPLC,NMR,GC
[BRN ] 114431
[InChI] InChI=1S/C9H6BrN/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-6H
[InChIKey] SCRBSGZBTHKAHU-UHFFFAOYSA-N
[SMILES] C1C2=C(C=CC=C2)C(Br)=CN=1
[CAS DataBase Reference] 1532-97-4(CAS DataBase Reference)
[NIST Chemistry Reference] Isoquinoline, 4-bromo-(1532-97-4)

Safety Data	Back Directory
[Symbol(GHS) ] GHS07
[Signal word ] Warning
[Hazard statements ] H315-H319-H335
[Precautionary statements ] P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ] Xi,Xn
[Risk Statements ] R36/37/38:Irritating to eyes, respiratory system and skin . R21/22:Harmful in contact with skin and if swallowed . R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ] S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S37/39:Wear suitable gloves and eye/face protection . S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . S22:Do not breathe dust . S36:Wear suitable protective clothing .
[WGK Germany ] 3
[HS Code ] 29334900
[Storage Class] 11 - Combustible Solids
[Hazard Classifications] Eye Irrit. 2 Skin Irrit. 2 STOT SE 3

Raw materials And Preparation Products	Back Directory
[Raw materials] Isoquinoline
[Preparation Products] 4-Isoquinolineboronic acid-->Isoquinoline-4-boronic acid 2,2-dimethylpropanediol-1,3 cyclic ester-->4-Aminoisoquinoline-->4-Iodoisoquinoline-->4-Fluoroisoquinoline-5-sulfonyl chloride-->Isoquinolin-4-ol-->2-Propyn-1-ol, 3-(4-isoquinolinyl)--->2-Propenoic acid, 3-(4-isoquinolinyl)-, methyl ester, (2E)--->4-Isoquinolinecarboxylic acid, ethyl ester-->4-Bromo-5-nitro-isoquinoline-1-carbaldehyde-->1-chloro-4-cyclopropylisoquinoline

Material Safety Data Sheet(MSDS)	Back Directory
[msds information] 4-Bromoisoquinoline(1532-97-4).msds

Hazard Information	Back Directory
[Chemical Properties] Pale Yellow Solid
[Uses] Shows selective inhibition of cAMP-dependent protein kinase
[Preparation] 2-Alkynyl benzyl azides could smoothly undergo an electrocyclic reaction catalyzed by palladium to afford either 4-bromoisoquinoline or 4-bromoisquinolones selectively under different conditions. 4-Bromoisoquinoline was synthesised in the presence of PdBr2/CuBr2/LiBr in MeCN, and 4-bromoisoquinolone was selectively produced with PdBr2/CuBr2/HOAc in CH2ClCH2Cl[1].
[Synthesis Reference(s)] Journal of Heterocyclic Chemistry, 10, p. 409, 1973 DOI: 10.1002/jhet.5570100326
[Synthesis] 119-65-3 1532-97-4 Synthesis of Intermediate-12: 3-Bromoisoquinoline: To a stirred solution of isoquinoline (24 g, 186 mmol) in acetic acid (50 mL) was slowly added N-bromosuccinimide (NBS, 36.2 g, 204.6 mmol) at room temperature. The reaction mixture was heated to 100 °C and the reaction was stirred at this temperature overnight. Upon completion of the reaction, the mixture was cooled to room temperature and subsequently concentrated under reduced pressure to remove the solvent. The resulting crude product was purified by fast column chromatography (eluent: 5% ethyl acetate/hexane) to give 4-bromoisoquinoline (9.2 g, 23.8% yield) as an oil.
[References] [1] Hong-ping Zhang, Hongzhan Xiao, Hong‐Yan Li. “A Selective Synthesis of 4-Bromoisoquinoline and 4-Bromoisquinolone.” Journal of Chemical Research-s (2013).

Spectrum Detail	Back Directory
[Spectrum Detail] 4-Bromoisoquinoline(1532-97-4)MS 4-Bromoisoquinoline(1532-97-4)¹HNMR 4-Bromoisoquinoline(1532-97-4)¹³CNMR 4-Bromoisoquinoline(1532-97-4)IR1 4-Bromoisoquinoline(1532-97-4)IR2 4-Bromoisoquinoline(1532-97-4)IR3 4-Bromoisoquinoline(1532-97-4)Raman

Well-known Reagent Company Product Information	Back Directory
[Acros Organics] 4-Bromoisoquinoline, 98%(1532-97-4)
[Alfa Aesar] 4-Bromoisoquinoline, 98%(1532-97-4)
[Sigma Aldrich] 1532-97-4(sigmaaldrich)
[TCI AMERICA] 4-Bromoisoquinoline,>98.0%(GC)(1532-97-4)

1532-97-4 suppliers list

Company Name:	Henan Junyuejian Biotechnology Co., LTD Gold
Telephone:	1555-0142250 18661514130
Website:	http://www.jyjchem.com/Index.htm

Company Name:	Tongchuang Pharma(Suzhou). Co., Ltd. Gold
Telephone:	0512-63263366 18912765016
Website:	https://www.chemicalbook.com/ShowSupplierProductsList15406/0_EN.htm

Company Name:	Changzhou Jiuwu Chemical co., Ltd. Gold
Telephone:	13775162768
Website:	www.jiuwuchem.cn

Company Name:	Meryer (Shanghai) Chemical Technology Co., Ltd.
Telephone:	4006356688 18621169109
Website:	www.x-labseek.com/

Company Name:	3B Pharmachem (Wuhan) International Co.,Ltd.
Telephone:	18930552037
Website:	www.chemicalbook.com/showsupplierproductslist13285/0_en.htm

Company Name:	Alfa Aesar
Telephone:	400-6106006
Website:	http://chemicals.thermofisher.cn

Company Name:	TCI (Shanghai) Development Co., Ltd.
Telephone:	021-67121386
Website:	https://www.tcichemicals.com/CN/zh/

Company Name:	BeiJing Hwrk Chemicals Limted
Telephone:	0757-86329057 18934348241
Website:	www.hwrkchemical.com/

Company Name:	Beijing Ouhe Technology Co., Ltd
Telephone:	13552068683 13522913783
Website:	www.ouhetech.cn/

Company Name:	Jia Xing Isenchem Co.,Ltd
Telephone:	0573-85285100 18627885956
Website:	https://www.chemicalbook.com/ShowSupplierProductsList14265/0_EN.htm

Company Name:	Nanjing Habo Medical Technology Co., Ltd.
Telephone:	13376080562 13376090521
Website:	http://www.habotech.com

Company Name:	Nanjing Chemlin Chemical Co., Ltd
Telephone:	025-83697070 13770331960
Website:	www.echemlin.cn

Tags:1532-97-4 Related Product Information

119-65-3 34784-05-9 34784-04-8 66728-98-1 63927-22-0 1532-71-4 13130-79-5 1532-97-4

Login