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S,S-Jacobsen catalyst

S,S-Jacobsen catalyst structure

CAS No:
135620-04-1
Formula:
C36H52ClMnN2O2
Chemical Name:
S,S-Jacobsen catalyst
Synonyms:
Manganese,chloro[[2,2′-[(1S,2S)-1,2-cyclohexanediylbis[(nitrilo-κN)methylidyne]]bis[4,6-bis(1,1-dimethylethyl)phenolato-κO]](2-)]-,(SP-5-13)-;Manganese,chloro[[2,2′-[1,2-cyclohexanediylbis[(nitrilo-κN)methylidyne]]bis[4,6-bis(1,1-dimethylethyl)phenolato-κO]](2-)]-,[SP-5-13-(1S-trans)]-;Phenol,2,2′-[1,2-cyclohexanediylbis(nitrilomethylidyne)]bis[4,6-bis(1,1-dimethylethyl)-,manganese complex,(1S-trans)-;(SP-5-13)-Chloro[[2,2′-[(1S,2S)-1,2-cyclohexanediylbis[(nitrilo-κN)methylidyne]]bis[4,6-bis(1,1-dimethylethyl)phenolato-κO]](2-)]manganese;Manganese,chloro[[2,2′-[1,2-cyclohexanediylbis(nitrilomethylidyne)]bis[4,6-bis(1,1-dimethylethyl)phenolato]](2-)-N,N′,O,O′]-,[SP-5-13-(1S-trans)]-;(S,S)-[N,N′-Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediamine]manganese(III) chloride;Jacobsen's catalyst;(S,S)-Jacobsen's catalyst;KJB 002;S,S-Jacobsen catalyst;(S,S)-(+)-N,N′-Bis(3,5-di-tert-butylsalicylidene)-1,2-diaminocyclohexylmanganese(III) chloride;(S,S)-(+)-N,N′-Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediamino manganese(II) chloride
Categories:
Organic Chemistry > Organometallic Compounds

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S,S-Jacobsen catalyst Basic Attributes

Molecular Weight：

635.2

Exact Mass：

706.263123

EC Number：

603-926-9

UNII：

RIM5C05I0Z

HScode：

29310099

Characteristics

Appearance：

brown Powder

Melting Point：

330-332 °C(lit.)

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38-20/21/22

safety instructions：

26-36-36/37/39

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 40 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

S,S-Jacobsen catalyst Use and Manufacturing

Salen(Mn)-catalyzed asymmetric epoxidation of unfunctionalized olefins. High enantioselectivity and yield of various substrates (especially cis-olefins) are obtained. Some uses include the synthesis of paclitaxel side chains and cis-1-amino-2-indenol. Jacobsen catalysts are also used for the asymmetric α-hydroxylation of silenol ethers. Catalyst for asymmetric epoxidation of various olefins.

Computed Properties

Molecular Weight:635.2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:634.309775
Monoisotopic Mass:634.309775
Topological Polar Surface Area:70.8
Heavy Atom Count:42
Complexity:793
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes

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(S,S)-(+)N,N-Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediaminomanganese(III) chloride

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(S,S)-(+)N,N'-Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediaminomanganese(III) chloride

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