ChemicalBook >> CAS DataBase List >>5-Bromophthalide

5-Bromophthalide

5-Bromophthalide structure

CAS No.: 64169-34-2

Chemical Name:: 5-Bromophthalide

Synonyms: 5-bromoisobenzofuran-1(3H)-one;5-broMo-1,3-dihydro-2-benzofuran-1-one;ROXA-024;5-BromophthaL;5-Bromophthali;5-BROMOPHTHALIDE;5-Bromophathalide;5-Bromophthalide,98%;5-Bromophthalide 97%;5-Bromophthalide >

CBNumber:: CB3157943

Molecular Formula:: C8H5BrO2

Molecular Weight:: 213.03

MDL Number:: MFCD01797360

MOL File:: 64169-34-2.mol

MSDS File:: SDS

Last updated:2025-07-24 18:13:50

Request For Quotation

5-Bromophthalide Properties

Melting point	162-166 °C(lit.)
Boiling point	377.7±42.0 °C(Predicted)
Density	1.742±0.06 g/cm3(Predicted)
storage temp.	Inert atmosphere,Room Temperature
solubility	Soluble in acetone.
form	Crystalline Powder
color	Beige to light yellow
InChI	InChI=1S/C8H5BrO2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3H,4H2
InChIKey	IUSPXLCLQIZFHL-UHFFFAOYSA-N
SMILES	C1(=O)C2=C(C=C(Br)C=C2)CO1
CAS DataBase Reference	64169-34-2(CAS DataBase Reference)
UNSPSC Code	12352100
NACRES	NA.22

SAFETY

Risk and Safety Statements

Symbol(GHS)

GHS07

Signal word

Warning

Hazard statements

H315-H319-H335

Precautionary statements

P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Hazard Codes

Risk Statements

36/37/38

Safety Statements

37/39-26

WGK Germany

RTECS

EJ9940000

HS Code

29329990

NFPA 704

	1
2		0

5-Bromophthalide price More Price(31)

Manufacturer	Product number	Product description	CAS number	Packaging	Price	Updated	Buy
Sigma-Aldrich	647187	5-Bromophthalide 97%	64169-34-2	5g	$29.97	2025-07-31	Buy
Sigma-Aldrich	647187	5-Bromophthalide 97%	64169-34-2	25g	$79.1	2025-07-31	Buy
TCI Chemical	B2770	5-Bromophthalide	64169-34-2	5G	$31	2025-07-31	Buy
TCI Chemical	B2770	5-Bromophthalide >98.0%(GC)	64169-34-2	25g	$94	2025-07-31	Buy
TRC	B686570	5-Bromophthalide	64169-34-2	10g	$70	2021-12-16	Buy

Product number	Packaging	Price	Buy
647187	5g	$29.97	Buy
647187	25g	$79.1	Buy
B2770	5G	$31	Buy
B2770	25g	$94	Buy
B686570	10g	$70	Buy

5-Bromophthalide Chemical Properties,Uses,Production

Chemical Properties

5-Bromophthalide is white to Pale Yellow Crystalline Solid

Uses

5-Bromophthalide is an important organic intermediate. It can be used in agrochemical, pharmaceutical and dyestuff field. It is a key intermediate of citalopram.

Uses

5-Bromophthalide is a useful synthetic intermediate

Synthesis

65399-05-5

64169-34-2

The general procedure for the synthesis of 5-bromophthalide from 5-aminophthalide was as follows: first, 5-nitrophthalimide (8) was prepared by nitration of phthalimide (7), using 200 g of phthalimide (7) in a mixture of HNO3 and H2SO4 acids at 0 °C to give 146 g of the product (8) in 56% yield. Subsequently, 8 was reduced to amine 9 by catalytic hydrogenation, using 5% Pd/C as catalyst, in EtOAc solvent in 97% yield. This step encountered the bottleneck of high solvent usage in large-scale operation. The improved method used the catalytic reduction reaction of zinc powder and copper(II) sulfate in 6 M NaOH aqueous solution to prepare aminophthalide 10 directly from 8 in one step in 100% yield, which effectively solved the bottleneck problem. Aminophthalide 10 was converted to 5-bromophthalide 11 in 76% yield by the Sandmeyer reaction in the presence of NaNO2 and 4 M HBr at 0 °C, followed by the addition of CuBr. A single batch yielded 36 g of 11. Next, 11 was reduced by diisobutylaluminum hydride (DIBAL) in toluene at -42 °C to give bromolactone 12 in 77% yield . Finally, 12 was reacted with boron trifluoride ether compounds in methanol to prepare bromoacetal 6 in 96% yield. The whole synthetic route was efficient and only the last two steps (e and f) required purification of the product by chromatography.

References

[1] Patent: US2011/77394, 2011, A1. Location in patent: Page/Page column 15
[2] Patent: CN108383833, 2018, A. Location in patent: Paragraph 0013
[3] Journal of the Chemical Society, 1931, p. 867,869
[4] Journal of Heterocyclic Chemistry, 2006, vol. 43, # 5, p. 1195 - 1204
[5] European Journal of Medicinal Chemistry, 2010, vol. 45, # 5, p. 1941 - 1946

5-Bromophthalide Preparation Products And Raw materials

Raw materials

4-Bromophthalimide 4-BROMO PHTHALIC ANHYDRUS 1,2-BENZENEDICARBOXYLIC ACID,4-BROMO-,1,2-DIETHYL ESTER 5-Aminophthalide 4-Bromo-2-methylbenzoic acid

Hydrogen bromide Cuprous bromide Sodium nitrite

1of2

Preparation Products

5-Cyanophthalide 1,2-Benzenedimethanol 3,5-dibromo-1(3H)-Isobenzofuranone 5-BROMO-1-(4-FLUOROPHENYL)-PHTHALIDE

5-Bromophthalide Suppliers

Global( 406)Suppliers

Supplier	Tel	Email	Country	ProdList	Advantage
Capot Chemical Co.,Ltd.	+8613336195806	sales@capot.com	China	29733	60
Shanghai Daken Advanced Materials Co.,Ltd	+86-2158073036	info@dakenam.com	China	12932	58
Nanjing Gold Pharmaceutical Technology Co. Ltd.	025-84209270 15906146951		CHINA	115	55
Henan Tianfu Chemical Co.,Ltd.	+86-0371-55170693 +86-19937530512	info@tianfuchem.com	China	21622	55
Nanjing ChemLin Chemical Industry Co., Ltd.	025-83697070	product@chemlin.com.cn	CHINA	3009	60
ATK CHEMICAL COMPANY LIMITED	+undefined-21-51877795	ivan@atkchemical.com	China	33024	60
career henan chemical co	+86-0371-86658258 +8613203830695	sales@coreychem.com	China	29855	58
Zhejiang ZETian Fine Chemicals Co. LTD	+8618957127338	stella@zetchem.com	China	2161	58
Changzhou Ansciep Chemical Co., Ltd.	+86 519 86305871	sales@ansciepchem.com	CHINA	4241	58
Hubei Jusheng Technology Co.,Ltd.	18871490254	linda@hubeijusheng.com	CHINA	28172	58

Supplier	Advantage
Capot Chemical Co.,Ltd.	60
Shanghai Daken Advanced Materials Co.,Ltd	58
Nanjing Gold Pharmaceutical Technology Co. Ltd.	55
Henan Tianfu Chemical Co.,Ltd.	55
Nanjing ChemLin Chemical Industry Co., Ltd.	60
ATK CHEMICAL COMPANY LIMITED	60
career henan chemical co	58
Zhejiang ZETian Fine Chemicals Co. LTD	58
Changzhou Ansciep Chemical Co., Ltd.	58
Hubei Jusheng Technology Co.,Ltd.	58

View Lastest Price from 5-Bromophthalide manufacturers

Update time	Product	Price	Min. Order	Purity	Supply Ability	Manufacturer
2025-05-07	5-Bromophthalide 64169-34-2	US $0.00-0.00 / g	0.001g	0.99	1 tons	Suzhou Nordica Biopharma CO.,LTD
2020-11-16	5-Bromophthalide 64169-34-2	US $400.00 / KG	1KG	99%	10000KG	Longyan Tianhua Biological Technology Co., Ltd
2019-07-06	5-Bromophthalide 64169-34-2	US $1.00 / KG	1KG	98%	100KG	Career Henan Chemical Co

5-Bromophthalide
64169-34-2
US $0.00-0.00 / g
0.99
Suzhou Nordica Biopharma CO.,LTD

5-Bromophthalide
64169-34-2
US $400.00 / KG
99%
Longyan Tianhua Biological Technology Co., Ltd

5-Bromophthalide
64169-34-2
US $1.00 / KG
98%
Career Henan Chemical Co

5-Bromophthalide Spectrum

5-Bromophthalide(64169-34-2)¹HNMR

64169-34-2(5-Bromophthalide)Related Search:

2-Bromoacetophenone 4'-Bromoacetophenone Furazolidone Benzofuran 3-Bromoanisole

Phthalide 4-Bromobenzaldehyde Bromoxynil octanoate 4-Bromophenethyl alcohol 5-Bromo-1-benzofuran

2-Bromobenzonitrile 4'-Bromopropiophenone 2-Bromofluorobenzene 5-Bromonicotinic acid 5-Bromoindole

5-Bromopyrimidine Bromine 4,5,6,7-TETRABROMOPHENOLPHTHALEIN

1of4

5-BROMO-1(3H)-ISOBENZOFURANONE 5-BROMO-3H-ISOBENZOFURANONE 5-BROMO-2-BENZOFURAN-(3H)-ONE 5-BROMOPHTHALIDE 5-Bromo-1-isobenzofuranone 5-Bromophthalide99%MIN. 5-bromo-3H-isobenzofuran-1-one 5-bromoisobenzofuran-1(3H)-one 5-Bromophthalide,98% 5-broMo-1,3-dihydro-2-benzofuran-1-one 5-BroMophthalide, 98% 100GR 5-BroMophthalide, 98% 25GR ROXA-024 5-Bromo-3H-isobenzofuran-1-one, 5-Bromo-2-benzofuran-1(3H)-one 1(3H)-Isobenzofuranone,5-broMo- 5-BroMophthalide, 99%, 99% 5-Bromophthalide 97% 5-bromo-1,3-dihydro-isobenzofuran-1-one Roxadustat Intermediate 5-Bromophthali 5-BromophthaL 5-Bromophthalide > 5-bromo-3H-2-benzofuran-1-one RSSYY(Perospirone Hydrochloride Hydrate)-8 5-Bromophathalide Roxadustat Impurity 124 Oxiconazole Impurity 9 64169-34-2 64199-34-2 C8H5BrO2 Heterocyclic Building Blocks Building Blocks Benzofurans Phthalides INTERMEDIATESOFCITALOPRAM Miscellaneous Reagents Aromatics