Basic information
- CAS
50479-11-3- Standard SMILES
CCOC(=O)CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1- InChIKey
QDAPTNBPGQKGLW-UHFFFAOYSA-N- Molecular formula
- C24H26O2P+
- Average molar mass
- 377.4 g/mol
- Monoisotopic mass
- 377.16704207
Names & identifiers
- Preferred name
- Ethyl 4-(triphenylphosphoranyl)butanoate
- IUPAC
- (4-ethoxy-4-oxobutyl)-triphenylphosphanium
- English name
- [3-(Ethoxycarbonyl)propyl]triphenylphosphonium bromide
- Molecular formula
- C24H26BrO2P
- Molecular weight
- 457.34
Names & synonyms
Ethyl 4-(triphenylphosphoranyl)butanoateNSC 269919NSC269919SCHEMBL63753QDAPTNBPGQKGLW-UHFFFAOYSA-N(4-ethoxy-4-oxobutyl)triphenylphosphonium(4-ethoxy-4-oxo-butyl)-triphenyl-phosphonium(4-Ethoxy-4-oxobutyl)triphenylphosphonium bromideRARECHEM FH KO 0044(3-Ethoxycarbonyl-propyl)-triphenyl-phosphonium(3-(ethoxycarbonyl)propyl)triphenyl-phosphonium B(4-ethoxy-4-oxobutyl)-triphenylphosphanium,bromide
Show more names
3- (ethoxycarbonyl) propyl] triphenylphosphine bromide[3-(Ethoxycarbonyl)propyl]triphenylphosphonium bromide(3-Ethoxycarbonylpropyl)triphenylphosphoniumbromide,97%(4-ethoxy-4-oxobutyl)triphenyl-Phosphonium bromide (1:1)
Database identifiers
- CAS
50479-11-3- PubChem CID
- 500024
- Nikkaji
- J2.410.211D
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 1
- Complexity
- 386
Physicochemical properties
- Melting point
- 165 · 165-167 °C(lit.)
- storage temp.
- Refrigerator (+4°C)
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Off-White
- Stability
- Hygroscopic
- InChI
- 1S/C24H26O2P.BrH/c1-2-26-24(25)19-12-20-27(21-13-6-3-7-14-21,22-15-8-4-9-16-22)23-17-10-5-11-18-23;/h3-11,13-18H,2,12,19-20H2,1H3;1H/q+1;/p-1
- InChIKey
- JPZMNVPVVYVXAD-UHFFFAOYSA-M
- SMILES
- [Br-].CCOC(=O)CCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3
- UNSPSC Code
- 12352108 · 12352108
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
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
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29310099
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesReactant for:Asymmetric synthesis of antihypercholesterolemic ezetimibe via Wittig reactionWittig reactions
Upstream & downstream products
Downstream products
Suppliers94 total
weifang runzhong fine chemical co., ltd536-7868377 +8618653686003 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
杭州埃肯新材料有限公司15258847994 · [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]
衢州明锋化工有限公司0570-3062502 13819002126;13819008176 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Related reactions
8 records
Compound notes
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