Basic information
- CAS
174810-09-4- Standard SMILES
O=C(N[C@@H]1CCCC[C@H]1NC(=O)c1c(P(c2ccccc2)c2ccccc2)ccc2ccccc12)c1c(P(c2ccccc2)c2ccccc2)ccc2ccccc12- InChIKey
VXFKMKXTPXVEMU-AWSIMMLFSA-N- Molecular formula
- C52H44N2O2P2
- Average molar mass
- 790.9 g/mol
- Monoisotopic mass
- 790.28780265
Names & identifiers
- Preferred name
- (R,R)-DACH-naphthyl Trost ligand
- IUPAC
- 2-diphenylphosphanyl-N-[(1R,2R)-2-[(2-diphenylphosphanylnaphthalene-1-carbonyl)amino]cyclohexyl]naphthalene-1-carboxamide
- English name
- (1R,2R)-(+)-1,2-DIAMINOCYCLOHEXANE-N,N'-BIS(2-DIPHENYLPHOSPHINO-1-NAPHTHOYL)
- Molecular formula
- C52H44N2O2P2
- Molecular weight
- 790.87
Names & synonyms
174810-09-4(R,R)-DACH-naphthyl Trost ligandN,N'-((1R,2R)-Cyclohexane-1,2-diyl)bis(2-(diphenylphosphino)-1-naphthamide)MFCD02684551(1R,2R)-(+)-1,2-DIAMINOCYCLOHEXANE-N,N'-BIS(2-DIPHENYLPHOSPHINO-1-NAPHTHOYL)2-diphenylphosphanyl-N-[(1R,2R)-2-[(2-diphenylphosphanylnaphthalene-1-carbonyl)amino]cyclohexyl]naphthalene-1-carboxamide1-Naphthalenecarboxamide, N,N'-(1R,2R)-1,2-cyclohexanediylbis[2-(diphenylphosphino)-(1R,2R)-(+)-1,2-DIAMINOCYCLOHEXANE-N,N/'-BIS(2-DIPHENYLPHOSPHINO-1-NAPHTHOYL)C52H44N2O2P22-(DIPHENYLPHOSPHANYL)-N-[(1R,2R)-2-[2-(DIPHENYLPHOSPHANYL)NAPHTHALENE-1-AMIDO]CYCLOHEXYL]NAPHTHALENE-1-CARBOXAMIDESCHEMBL2257710DTXSID10370165
Show more names
CAS:174810-09-4(R,R)-TROST LIGAND(NAPHTHYL)(R,R)-DACH-naphthyl Trost ligand 95%(1R,2R)-(-)-1,2-Diaminocyclohexane-N,N'-bis(2-diphenylphosph...(1R,2R)-(-)-1,2-Diaminocyclohexane-N,N'-bis(2-diphenylphosphino-1-naphthoyl),94%N,N'-(1R,2R)-1,2-Cyclohexanediylbis[2-(diphenylphosphino)-1-naphthalenecarboxamide
Properties
Computed structural properties
- XLogP
- 11.4
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 58
- Formal charge
- 0
- Complexity
- 1,170
Physicochemical properties
- Melting point
- 224 · 224-231 °C
- alpha
- 69 o · 69o (C=1 IN METHANOL)
- storage temp.
- 2 · 2-8°C, protect from light, stored under nitrogen
- form
- Powder
- pka
- 13.43 · 13.43±0.40(Predicted)
- color
- off-white
- optical activity
- 20 · [α]20/D +69.0°, c = 1 in methanol
- InChIKey
- VXFKMKXTPXVEMU-AWSIMMLFSA-N
- SMILES
- C1(NC(C2=C3C(C=CC=C3)=CC=C2P(C2=CC=CC=C2)C2=CC=CC=C2)=O)CCCCC1NC(C1=C2C(C=CC=C2)=CC=C1P(C1=CC=CC=C1)C1=CC=CC=C1)=O
- CAS DataBase Reference
- 174810 · 174810-09-4
- UNSPSC Code
- 12352005 · 12352005
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07,GHS08
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H318-H361-H370-H372-H317-H402
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
- wgk
- 3
- hs_code
- 2931499090
- risk_code
- 36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07,GHS08
- safety_code
- 26-36/37/39
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H318-H361-H370-H372-H317-H402
- Precautionary statements
- P501-P273-P272-P260-P270-P202-P201-P264-P280-P302+P352-P308+P311-P362+P364-P333+P313-P301+P312+P330-P305+P351+P338+P310-P405
Chemistry & industry
Applications
UsesTrost Ligands for Asymmetric Allylic Alkylation
Upstream & downstream products
Upstream raw materials
Suppliers70 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [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（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Related reactions
15 records
Compound notes
Loading…