Basic information
- CAS
77876-39-2- Standard SMILES
C[C@@H](C[C@H](C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1- InChIKey
CTYPJIUQROQJBG-DQEYMECFSA-N- Molecular formula
- C29H30P2
- Average molar mass
- 440.5 g/mol
- Monoisotopic mass
- 440.18227422
Names & identifiers
- Preferred name
- (2S,4S)-2,4-Bis(diphenylphosphino)pentane
- IUPAC
- [(2S,4S)-4-diphenylphosphanylpentan-2-yl]-diphenylphosphane
- English name
- (2S,4S)-(-)-2,4-Bis(diphenylphosphino)pentane
- Molecular formula
- C29H30P2
- Molecular weight
- 440.5
Names & synonyms
(2S,4S)-2,4-BIS(DIPHENYLPHOSPHINO)PENTANERefChem:398989623-772-677876-39-2(2S,4S)-(-)-2,4-BIS(DIPHENYLPHOSPHINO)PENTANE(S,S)-BDPP(2S,4S)-Pentane-2,4-diylbis(diphenylphosphine)MFCD00058923[(2S,4S)-4-(DIPHENYLPHOSPHANYL)PENTAN-2-YL]DIPHENYLPHOSPHANESCHEMBL30277[(2S,4S)-4-diphenylphosphanylpentan-2-yl]-diphenylphosphaneAKOS015840641
Show more names
BDPP(2S,4S)-(-)-BIS(DIPHENYLPHOSPHINO)PENTANES,S-SKEWPHOSBisdiphenylphosphinopentaneSSBDPPwhitex(2S,3S)-(-)-BIS(DIPHENYLPHOSPHINO)PENTANE(2S,4S)-2,4-Bis(diphenylphosphino)pentane 97%(-)-(2S,4S)-2,4-BIS(DIPHENYLPHOSPHINO)PENTANE
(s,s)-2,4-bis(diphenylphosphino)pentaneD94678(2S,4S)-2,4-Pentanediylbis(diphenylphosphine)((2S,4S)-pentane-2,4-diyl)bis(diphenylphosphane)[(2S,4S)-Pentane-2,4-diyl]bis(diphenylphosphane)Phosphine, [(1S,3S)-1,3-dimethyl-1,3-propanediyl]bis[diphenyl-A865133DTXSID90370365
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 401
Physicochemical properties
- Melting point
- 81 °C · 81°C
- Boiling point
- 543.8 · 543.8±33.0 °C(Predicted)
- alpha
- -124 ° · -124° (c 3.0, CHCl3)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- Benzene (Slightly), Chloroform (Sparingly), Methanol (Slightly)
- form
- crystal
- color
- white
- optical activity
- 20 · [α]20/D 125.0°, c = 1 in chloroform
- Sensitive
- air sensitive
- InChI
- 1S/C29H30P2/c1-24(30(26-15-7-3-8-16-26)27-17-9-4-10-18-27)23-25(2)31(28-19-11-5-12-20-28)29-21-13-6-14-22-29/h3-22,24-25H,23H2,1-2H3/t24-,25-/m0/s1
- InChIKey
- CTYPJIUQROQJBG-DQEYMECFSA-N
- SMILES
- C[C@@H](C[C@H](C)P(c1ccccc1)c2ccccc2)P(c3ccccc3)c4ccccc4
- CAS DataBase Reference
- 77876 · 77876-39-2(CAS DataBase Reference)
- UNSPSC Code
- 12352002 · 12352002
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (11.4%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (11.4%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- No
- hs_code
- 29310099
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H413-H315-H319-H335
- Hazard Classifications
- Aquatic Chronic 4
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
UsesLigand used for asymmetric hydrogenation of ketones and alkenes
Suppliers54 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
绍兴赜军生物医药科技有限公司0575-82126188 15395856318
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [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]
卓瑞宁（上海）科技有限公司18163338995 18163338995
江苏欣诺科催化剂股份有限公司0512-67216630 67216634 · [email protected]
常州市华阳科技有限公司+8615250961469 · [email protected]
南京药石科技股份有限公司
Related reactions
15 records
Compound notes
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