Basic information
- CAS
944450-44-6- Standard SMILES
COc1ccc(C(N)(c2ccc(OC)cc2)C(N)C(C)C)cc1.Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccc3c(c2-c2c(P(c4cc(C)cc(C)c4)c4cc(C)cc(C)c4)ccc4c2OCO4)OCO3)c1.[Cl][Ru][Cl]- InChIKey
UDSABKQFPIPYOT-UHFFFAOYSA-L- Molecular formula
- C65H70Cl2N2O6P2Ru
- Average molar mass
- 1,209.2 g/mol
- Monoisotopic mass
- 1,208.312958
Overview
See also: RuCl2[(R)-dm-segphos(regR)][(R)-daipen] (annotation moved to).
Names & identifiers
- Preferred name
- RuCl2[(S)-(DM-SEGPHOS(R))][(S)-DAIPEN]
- IUPAC
- [4-[5-bis(3,5-dimethylphenyl)phosphanyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-bis(3,5-dimethylphenyl)phosphane;1,1-bis(4-methoxyphenyl)-3-methylbutane-1,2-diamine;dichlororuthenium
- English name
- Dichloro{(S)-(-)-5,5'-bis[di(3,5-xylyl)phosphino]-4,4'-bi-1,3-benzodioxole}[(2S)-(+)-1,1-bis(4-methoxyphenyl)-3-methyl-1,2-butanediamine]ruthenium(II)
- Molecular formula
- C65H70Cl2N2O6P2Ru
- Molecular weight
- 1209.2
Names & synonyms
RuCl2[(R)-dm-segphos(R)][(R)-daipen]944450-43-5RuCl2[(S)-(DM-SEGPHOS(R))][(S)-DAIPEN]RuCl2[(S)-dm-segphos(R)][(S)-daipen]RuCl2[(S)-(DM-SEGPHOS®)][(S)-DAIPEN]RuCl2[(S)-(DM-SEGPHOS)][(S)-DAIPEN]RuCl2[(S)-dm-segphos(regR)][(S)-daipen]RuCl2[(S)-(DM-SEGPHOS®RuCl2[(S)-(DM-SEGPHOS?)][(S)-DAIPEN]RuCl2[(S)-dm-segphos(regR)][(S)-daipen] RuCl2[(S)-dm-segphos][(S)-daipen]Dichloro[(S)-(-)-5,5'-bis[di(3,5-xylyl)phosphino]-4.4'-bi-1,3-benzodioxole][(2S)-(+)-1,1-bis(4-methoxyphenyl)-3-methyl-1Dichloro{(S)-(-)-5,5'-bis[di(3,5-xylyl)phosphino]-4,4'-bi-1,3-benzodioxole}[(2S)-(+)-1,1-bis(4-methoxyphenyl)-3-methyl-1,2-butanediamine]ruthenium(II)
Database identifiers
- CAS
944450-44-6- PubChem CID
- 92012168
Properties
Computed structural properties
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 13
- Heavy atoms
- 78
- Formal charge
- 0
- Complexity
- 1,310
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- form
- Powder
- color
- yellow
- Sensitive
- air sensitive
- InChIKey
- UDSABKQFPIPYOT-OGLOXHGMSA-L
- SMILES
- Cl[Ru]Cl.COc1ccc(cc1)C(N)([C@@H](N)C(C)C)c2ccc(OC)cc2.Cc3cc(C)cc(c3)P(c4cc(C)cc(C)c4)c5ccc6OCOc6c5-c7c8OCOc8ccc7P(c9cc(C)cc(C)c9)c%10cc(C)cc(C)c%10
- CAS DataBase Reference
- 944450 · 944450-44-6
- UNSPSC Code
- 12352005 · 12352005
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Danger
- Hazard statements
- 360 · H360-H371-H373
- Precautionary statements
- 260 · P260-P264-P270-P309+P311-P405-P501-P260-P314-P501
- WGK Germany
- 3 · WGK 3
- HS Code
- 2843.9 · 2843.90.0000
- Storage Class
- 11 · 11 - Combustible Solids
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
- WGK 3
- hs_code
- 2843.90.0000
- Signal word
- Danger
- Symbol(GHS)
- GHS08
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H360-H371-H373
- Precautionary statements
- P260-P264-P270-P309+P311-P405-P501-P260-P314-P501
Chemistry & industry
Applications
UsesTakasago Ligands and Complexes for Asymmetric Reactions
Suppliers15 total
绍兴赜军生物医药科技有限公司0575-82126188 15395856318 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
郑州金一化工科技有限公司0371-65511006 18625597674 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
上海晶石医药科技有限公司021-000000 · [email protected]
常州凯曼化工科技有限公司0519-0519-83534936 18151214939 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386, 800-988-0390 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
广东翁江化学试剂有限公司0751-2815983 13927872582 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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