CAS 870-63-3|Prenyl bromide|3,3-Dimethylallyl bromide|1-bromo-3-methylbut-2-ene|1-bromo-3-methylbut-2-ene|1-Bromo-3-methylbut-2-ene 93%|3-Methylbut-2-en-1-yl bromide|1-溴-3-甲基-2-丁烯|溴代异戊烯|1-...

InChI=1S/C5H9Br/c1-5(2)3-4-6/h3H,4H2,1-2H3

LOYZVRIHVZEDMW-UHFFFAOYSA-N

H Acceptors

H Donor

LogD (pH = 5.5)

2.3827562

LogD (pH = 7.4)

2.3827562

Log P

2.3827562

Molar Refractivity

33.414

Polarizability

12.3956375

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Prenyl bromide3,3-Dimethylallyl bromide1-Bromo-3-methylbut-2-ene 93%3-Methylbut-2-en-1-yl bromide1-溴-3-甲基-2-丁烯3,3-Dimethylallyl bromide溴代异戊烯1-Bromo-3-methyl-2-butene3,3-二甲基烯丙基溴1-Bromo-3-methyl-2-butene1-溴-3-甲基-2-丁烯

IUPAC Traditional name

1-bromo-3-methylbut-2-ene

Click here to submit data

249904

Packaging
5, 25 g in glass bottle

274372

Packaging
1, 10 g in glass bottle
Application
A useful source of the 3,3-dimethylallyl or prenyl group for the synthesis of natural products1 and in the synthesis of base-modified pyrimidine nucleosides.2

• In the presence of the hindered base lithium 2,2,6,6-tetramethylpiperidide (LTMP) forms a carbenoid species which reacts with alkenes to provide vinylcyclopropenes: Synlett, 647 (1991):

• 3,3-Dimethylallyl (prenyl) building block group, useful in terpene synthesis. For use as an alkylating agent, see, e.g.: Org. Synth. Coll., 8, 381 (1993).

Names and Identifiers

Synonyms

IUPAC Traditional name

1-bromo-3-methylbut-2-ene

IUPAC name

1-bromo-3-methylbut-2-ene

Registration numbers

CAS Number

870-63-3

MDL Number

MFCD00000242

Beilstein Number

1420778

PubChem SID

248550222486427024856581162075985

EC Number

212-799-5

PubChem CID

70092

Molecule Details

Sigma Aldrich

249904

Packaging
5, 25 g in glass bottle

274372

References

PubChem Literature

From Data Sources

• In the presence of the hindered base lithium 2,2,6,6-tetramethylpiperidide (LTMP) forms a carbenoid species which reacts with alkenes to provide vinylcyclopropenes: Synlett, 647 (1991):

• 3,3-Dimethylallyl (prenyl) building block group, useful in terpene synthesis. For use as an alkylating agent, see, e.g.: Org. Synth. Coll., 8, 381 (1993).

Bioactivity

PubChem BioAssay

GHS Hazard statements

H226-H314

H314-H318-H226

Personal Protective Equipment

Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Risk Statements

10-34

GHS Signal Word

Danger

GHS Precautionary statements

P280-P305+P351+P338-P310

P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A

GHS Pictograms

Corrosive to metals, category 1

Skin corrosion, categories 1A,1B,1C

Serious eye damage, category 1

Flammable gases, category 1

Flammable aerosols, categories 1,2

Flammable liquids, categories 1,2,3

Self-reactive substances and mixtures, Types B,C,D,E,F

Pyrophoric liquids, category 1

Pyrophoric solids, category 1

Self-heating substances and mixtures

Substances and mixtures, which in contact with water, emit flammable gases, categories 1,2,3

Organic peroxides, Types B,C,D,E,F

European Hazard Symbols

Corrosive (C)

RID/ADR

UN 2920 8/PG 2

Storage Temperature

2-8°C

MSDS Link

Download link

Packing Group

Safety Statements

26-36/37/39-45

TSCA Listed

是

90+%, stab. with silver

German water hazard class

Molecule

ID:89100