CID 16043495

Base Information

• Chemical Name: CID 16043495
• CAS No.: 55652-52-3
• Molecular Formula: C2H8BBrS
• Molecular Weight: 154.867
• European Community (EC) Number: 629-410-3
• DSSTox Substance ID: DTXSID70581396
• Mol file: 55652-52-3.mol

Synonyms:55652-52-3;SCHEMBL3283496;DTXSID70581396;PUBCHEM_16043495

Chemical Property of CID 16043495

Chemical Property:

• Flash Point: 50 °F
• PSA: 25.30000
• Density: 1.347 g/mL at 25 °C
• LogP: 0.90860
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 151.94666
• Heavy Atom Count: 5
• Complexity: 4.8

Purity/Quality:

98%,99%, ^*data from raw suppliers

mono-Bromoborane Methyl Sulfide Complex ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,T,C
• Hazard Codes: F,T,C
• Statements: 11-15-23/24/25-34-40-14/15-67-37
• Safety Statements: 16-23-26-36/37/39-45-27-43

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: [B]Br.CSC
• Uses: Reactant for:Substitution reactions for synthesis of N-heterocyclic carbene boranes with boron-heteroatom bondsHydroboration reactionsRegio- and chemoselective brominative cleavage of terminal epoxides

Technology Process of CID 16043495

There total 1 articles about CID 16043495 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:

boron tribromide-dimethyl sulfide complex (29957-59-3) + dimethylsulfide borane complex (13292-87-0) → bromoborane-dimethyl sulfide complex (55652-52-3)

Guidance literature:

In benzene; at 60 ℃; for 24h; Inert atmosphere;

DOI:10.1002/anie.201809983

Reference yield: 91.0%

(R)-{(2R,3R)-2,3-Dihydroxy-3-[((R)-methoxycarbonyl-phenyl-methyl)-carbamoyl]-propionylamino}-phenyl-acetic acid methyl ester + bromoborane-dimethyl sulfide complex (55652-52-3) + silver carbonate → Ag(1+)*((CH3OCOCH(C6H5)NHCOCHO)2)2B(1-)=Ag(((CH3OCOCH(C6H5)NHCOCHO)2)2B)

Guidance literature:

In dichloromethane; byproducts: H2, HBr; 1) H2BBr*SMe2 in CH2Cl2, 2) Ag2CO3in MeCN; elem. anal.;

DOI:10.1021/om040017g

Reference yield: 86.0%

bromoborane-dimethyl sulfide complex (55652-52-3) + 1,4-diallylbenzene (2664-28-0) → (CH2)3C6H4(CH2)3BOCH3

Guidance literature:

With MeOH; In dichloromethane; N2-atmosphere; addn. of H2BrB*SMe2 to olefin, then MeOH addn. (pptn.);

DOI:10.1039/c39940000227

upstream raw materials:

boron tribromide-dimethyl sulfide complex

dimethylsulfide borane complex

Downstream raw materials:

5-methylene-1,1,3,3-tetraphenyl-1,3-diphosphonia-2-boratacyclohexane-bromide

[1,2-bis(diphenylphosphanyl)benzene]dihydroboron bromide

[(Z)-1,2-bis(diphenylphosphanyl)ethene]dihydroboron bromide