(3-Ethoxycarbonyl-2-methylallyl)triphenylphosphonium bromide

CAS
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CAS
29310-37-0
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Purity
97%
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Catalog Number

ACM29310370

Product Name

(3-Ethoxycarbonyl-2-methylallyl)triphenylphosphonium bromide

Structure

CAS

29310-37-0

Category

Heterocyclic Organic Compound

Synonyms

(3-Carboxy-2-methylallyl)triphenyl-phosphonium-bromide ethyl ester

IUPAC Name

(4-Ethoxy-2-methyl-4-oxobut-2-enyl)-triphenylphosphanium;bromide

Molecular Weight

469.35

Molecular Formula

C25H26BrO2P

Canonical SMILES

CCOC(=O)C=C(C)C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C25H26O2P.BrH/c1-3-27-25(26)19-21(2)20-28(22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24;/h4-19H,3,20H2,1-2H3;1H/q+1;/p-1

InChI Key

YTCUHHGAWIKMBX-UHFFFAOYSA-M

Melting Point

190ºC (dec)

Solubility

Soluble in acetonitrile, dimethylformamide and tetrahydrofuran

Appearance

White solid

Storage

Storage at -4 °C (1-2weeks), longer storage period at -20 °C (1-2years)

Complexity

463

Covalently-Bonded Unit Count

Exact Mass

468.08538

H-Bond Acceptor

H-Bond Donor

Heavy Atom Count

Monoisotopic Mass

468.08538

Topological Polar Surface Area

26.3 Å²

MSDS

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COA

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Spec Sheet

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