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2-Bromo-4-butyrolactone

2-Bromo-4-butyrolactone structure

CAS No:
5061-21-2
Formula:
C4H5BrO2
Chemical Name:
2-Bromo-4-butyrolactone
Synonyms:
2(3H)-Furanone,3-bromodihydro-;Butyric acid,2-bromo-4-hydroxy-,γ-lactone;2(3H)-Furanone,3-bromodihydro-,(±)-;Butyric acid,α-bromo-γ-hydroxy-,γ-lactone;3-Bromodihydro-2(3H)-furanone;α-Bromo-γ-butyrolactone;α-Bromobutyric acid γ-lactone;3-Bromo-4,5-dihydro-2(3H)-furanone;2-Bromo-γ-butyrolactone;2-Bromo-4-butyrolactone;3-Bromo-2-oxotetrahydrofuran;(±)-3-Bromo-4,5-dihydro-2(3H)-furanone;NSC 11726;NSC 56959;3-Bromotetrahydrofuran-2-one;2-Bromo-4-butanolide;3-Bromooxolan-2-one;86362-17-6
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Pale Yellow Liquid

2-Bromo-4-butyrolactone Basic Attributes

Molecular Weight：

164.99

Exact Mass：

164.99

BRN：

107800

EC Number：

225-764-4

NSC Number：

56959|11726

HScode：

29322980

Characteristics

PSA：

26.3

XLogP3：

1.1

Appearance：

pale yellow liquid

Density：

1.825 g/cm³ @ Temp: 20 °C

Boiling Point：

130-135 °C @ Press: 20 Torr

Flash Point：

>230 °F

Refractive Index：

1.529

Storage Conditions：

2-8°C

Safety Information

Transport codes：

UN 2810

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

Hazard note：

Irritant/Keep Cold/Lachrymatory/Moisture Sensitive

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Bromo-4-butyrolactone Use and Manufacturing

Methods of Manufacturing

(Bromination step) A stirring device, a reflux device, a thermometer, In a reaction vessel equipped with a dropping funnel and a nitrogen introducing tube and having a volume of 1000 ml, 200 g (2.32 mol) of γ-butyrolactone, And catalyst as sulfur 2.76g (0.086mol, 3.7 molpercent based on γ-butyrolactone)431 g (2.70 mol) of bromine was charged into the dropping funnel.Stirring was started, While keeping the temperature inside the reaction container not to exceed 40 ° C., The whole amount of bromine in the dropping funnel was dropped.After completion of the dropwise addition, The temperature inside the reaction vessel was raised to about 90 ° C. and the reaction vessel was heated for 1 hour, Then, the temperature was raised to about 110 ° C. and the reaction was carried out for 3 hours.

Uses

Lactams inhibit type Q arylesterase activity of human serum paraoxonase PON1.

Manufacturing Info：

2(3H)-Furanone, 3-bromodihydro-: INACTIVE

Computed Properties

Molecular Weight:164.99
XLogP3:1.1
Hydrogen Bond Acceptor Count:2
Exact Mass:163.94729
Monoisotopic Mass:163.94729
Topological Polar Surface Area:26.3
Heavy Atom Count:7
Complexity:91.7
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Content: 99.00%

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Henan Lihao Chem Plant Limited Contact Supplier

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