(R,R)-1,3-Bis(4-bromobenzyl)-2-chlorooctahydro-2-(2E)-crotyl-1H-1,3,2-benzodiazasilole

Base Information

Chemical Name:(R,R)-1,3-Bis(4-bromobenzyl)-2-chlorooctahydro-2-(2E)-crotyl-1H-1,3,2-benzodiazasilole
CAS No.:804559-39-5
Molecular Formula:C24H29Br2ClN2Si
Molecular Weight:568.854
Hs Code.:
European Community (EC) Number:663-631-6
Nikkaji Number:J2.111.590H,J2.219.527A
Wikidata:Q76416729
Mol file:804559-39-5.mol

Synonyms:804559-39-5;(R,R)-1,3-Bis(4-bromobenzyl)-2-chlorooctahydro-2-(2E)-crotyl-1H-1,3,2-benzodiazasilole;(3aR,7aR)-1,3-bis[(4-bromophenyl)methyl]-2-[(E)-but-2-enyl]-2-chloro-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazasilole;MFCD18632558;(1R,2R)-(-)-[N,N'-Bis(4-bromobenzyl)-1,2-cyclohexanediamino][(2E)-2-buten-1-yl]chlorosilane;(3abeta,7aalpha)-1,3-Bis(4-bromobenzyl)-2-chloro-2-(2-butenyl)octahydro-1H-1,3,2-benzodiazasilole;(3abeta,7aalpha)-1,3-Bis(4-bromobenzyl)-2-crotyl-2-chlorooctahydro-1H-1,3,2-benzodiazasilole

Suppliers and Price of (R,R)-1,3-Bis(4-bromobenzyl)-2-chlorooctahydro-2-(2E)-crotyl-1H-1,3,2-benzodiazasilole

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Strem Chemicals
(1R,2R)-(-)-[N,N'-Bis(4-bromobenzyl)-1,2-cyclohexanediamino][(2E)-2-buten-1-yl]chlorosilane, min. 98%
1g
$ 225.00

Strem Chemicals
(1R,2R)-(-)-[N,N'-Bis(4-bromobenzyl)-1,2-cyclohexanediamino][(2E)-2-buten-1-yl]chlorosilane, min. 98%
250mg
$ 75.00

Sigma-Aldrich
(R,R)-1,3-Bis(4-bromobenzyl)-2-chlorooctahydro-2-(2E)-crotyl-1H-1,3,2-benzodiazasilole
1g
$ 237.00

Sigma-Aldrich
(R,R)-1,3-Bis(4-bromobenzyl)-2-chlorooctahydro-2-(2E)-crotyl-1H-1,3,2-benzodiazasilole
250mg
$ 74.90

Total 6 raw suppliers

Chemical Property of (R,R)-1,3-Bis(4-bromobenzyl)-2-chlorooctahydro-2-(2E)-crotyl-1H-1,3,2-benzodiazasilole

Chemical Property:

Melting Point:92-96°C
Boiling Point:573.9±60.0 °C(Predicted)
PKA:6.35±0.20(Predicted)
PSA：6.48000
Density:1.46±0.1 g/cm3(Predicted)
LogP:7.47020
Sensitive.:moisture sensitive
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:568.01348
Heavy Atom Count:30
Complexity:536

Purity/Quality:

97% ^*data from raw suppliers

(1R,2R)-(-)-[N,N'-Bis(4-bromobenzyl)-1,2-cyclohexanediamino][(2E)-2-buten-1-yl]chlorosilane, min. 98% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC=CC[Si]1(N(C2CCCCC2N1CC3=CC=C(C=C3)Br)CC4=CC=C(C=C4)Br)Cl
Isomeric SMILES:C/C=C/C[Si]1(N([C@@H]2CCCC[C@H]2N1CC3=CC=C(C=C3)Br)CC4=CC=C(C=C4)Br)Cl

Technology Process of (R,R)-1,3-Bis(4-bromobenzyl)-2-chlorooctahydro-2-(2E)-crotyl-1H-1,3,2-benzodiazasilole

There total 1 articles about (R,R)-1,3-Bis(4-bromobenzyl)-2-chlorooctahydro-2-(2E)-crotyl-1H-1,3,2-benzodiazasilole which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 69.0%

: 18147-55-2,49749-84-0,52885-13-9
(E)-crotyltrichlorosilane

: 546084-44-0
(1R,2R)-N,N'-di(4'-bromobenzyl)-1,2-diaminocyclohexane

: 804559-39-5
(R,R)-trans EZ-CrotylMix

Guidance literature:: With 1,8-diazabicyclo[5.4.0]undec-7-ene; In dichloromethane; at 0 - 20 ℃;
DOI:10.1021/ol0480731

Reference yield: 85.0%

: C₂₀H₂₂O₂Si

: 804559-39-5
(R,R)-trans EZ-CrotylMix

: C₂₄H₃₀O₂Si

: C₂₄H₃₀O₂Si

Guidance literature:: C₂₀H₂₂O₂Si; (R,R)-trans EZ-CrotylMix; scandium tris(trifluoromethanesulfonate); In dichloromethane; at 20 ℃; for 3h;

With tetrabutyl ammonium fluoride; In dichloromethane; at 20 ℃; for 0.5h; Product distribution / selectivity;