Basic information
- CAS
2181-98-8- Standard SMILES
COC(=O)C=CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]- InChIKey
KSTXYAKHACCZSD-UHFFFAOYSA-M- Molecular formula
- C23H22BrO2P
- Average molar mass
- 441.3 g/mol
- Monoisotopic mass
- 440.05408
Names & identifiers
- Preferred name
- (3-Methoxycarbonyl-2-propenyl)triphenylphosphonium bromide
- IUPAC
- (4-methoxy-4-oxobut-2-enyl)-triphenylphosphanium bromide
- English name
- Methyl 4-(triphenylphosphonio)crotonate bromide
- Molecular formula
- C23H22BrO2P
- Molecular weight
- 441.3
Names & synonyms
C23H22BrO2P[(2E)-4-methoxy-4-oxobut-2-en-1-yl]triphenylphosphanium bromideSCHEMBL2449047KSTXYAKHACCZSD-UHFFFAOYSA-MDTXSID301366488AKOS030255638DB-045705NS00049370(3-Carbomethoxy-2-propenyl)triphenylphosphonium bromide(3-Methoxycarbonyl-2-propenyl)triphenylphosphonium bromide(4-methoxy-4-oxo-but-2-enyl)-triphenyl-phosphonium;bromideMETHYL-4-(TRIPHENYLPHOSPONIO)CROTONATE BROMIDE
Show more names
Methyl 4-(triphenylphosphonio)crotonate bromideMethyl 4-(triphenylphosphonio)crotonate bromide, 98 %(4-methoxy-4-oxo-2-butenyl)triphenylphosphonium bromide(4-Methoxy-4-oxobut-2-en-1-yl)triphenylphosphonium bromide(E)-4-methoxy-4-oxo-but-2-enyl]-triphenyl-phosphonium bromide(E)-(4-Methoxy-4-oxobut-2-en-1-yl)triphenylphosphonium bromide(3-(METHOXYCARBONYL)-2-PROPEN-1-YL)TRIPHENYLPHOSPHONIUM BROMIDE
Database identifiers
- CAS
2181-98-8- PubChem CID
- 3083751
- DTXSID
DTXSID301366488
Properties
Computed structural properties
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 409
Physicochemical properties
- Melting point
- 175 °C · 175°C (dec.)
- Sensitive
- Hygroscopic
- BRN
- 4173385 · 4173385
- CAS DataBase Reference
- 2181 · 2181-98-8(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- risk_code
- 36/37/38
- Symbol(GHS)
- GHS07
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
UsesMethyl 4-(triphenylphosphonio)crotonate Bromide was used in the stereospecific synthesis of (+)-oxybiotin.
Suppliers31 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
湖南嘉航医药科技有限公司85521272 18229978283 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
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安阳鸿蒙新材料有限公司19588588067 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
西安莱茵生物科技有限公司86-(0)29-85992781 17792393971 · [email protected]
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杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
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江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
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XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
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Related reactions
3 records
Compound notes
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