1-Bromo-2,2-bis(bromomethyl)butane

Base Information

• Chemical Name: 1-Bromo-2,2-bis(bromomethyl)butane
• CAS No.: 6974-30-7
• Molecular Formula: C6H11 Br3
• Molecular Weight: 322.865
• European Community (EC) Number: 620-745-0
• NSC Number: 23229
• DSSTox Substance ID: DTXSID30281840
• Wikidata: Q82015934
• Mol file: 6974-30-7.mol

Synonyms:1-bromo-2,2-bis(bromomethyl)butane;6974-30-7;NSC 23229;NSC23229;SCHEMBL2215119;1,1,1-tris(bromomethyl)propane;DTXSID30281840;1,1,1-tris-(bromomethyl)-propane;NSC-23229;AKOS024340404;2,2-BIS(BROMOMETHYL)-1-BROMOBUTANE

Chemical Property of 1-Bromo-2,2-bis(bromomethyl)butane

Chemical Property:

• Vapor Pressure: 0.00885mmHg at 25°C
• Boiling Point: 274.8°C at 760 mmHg
• Flash Point: 118.6°C
• PSA: 0.00000
• Density: 1.931g/cm³
• LogP: 3.56750
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 321.83904
• Heavy Atom Count: 9
• Complexity: 60.4

Purity/Quality:

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

2,2-BIS(BROMOMETHYL)-1-BROMOBUTANE AldrichCPR ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC(CBr)(CBr)CBr

Technology Process of 1-Bromo-2,2-bis(bromomethyl)butane

There total 2 articles about 1-Bromo-2,2-bis(bromomethyl)butane 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: 46.0%

1,1,1-tri(hydroxymethyl)propane (77-99-6) → 1,1,1-tri(bromomethyl)propane (6974-30-7)

Guidance literature:

With phosphorus tribromide; at 160 ℃; for 18h;

DOI:10.1016/S0040-4020(98)00963-6

Reference yield:

2-ethyl-2-((tosyloxy)methyl)propane-1,3-diyl bis(4-methylbenzenesulfonate) (6962-93-2) → 1,1,1-tri(bromomethyl)propane (6974-30-7)

Guidance literature:

With lithium bromide; In N,N-dimethyl-formamide; for 1h; Heating;

Reference yield: 85.0%

1,1,1-tri(bromomethyl)propane (6974-30-7) + sodium p-toluenesulfonamide (18522-92-4) → C27H35N3O6S3 (1260388-49-5)

Guidance literature:

In 1-methyl-pyrrolidin-2-one; at 204 ℃; for 8h;

DOI:10.1080/00397910903470517

upstream raw materials:

1,1,1-tri(hydroxymethyl)propane

2-ethyl-2-((tosyloxy)methyl)propane-1,3-diyl bis(4-methylbenzenesulfonate)

Downstream raw materials:

2-ethyl-1-butene

vinylcyclobutane

ethylidenecyclobutane

ethylcyclobutane

Refernces

• 1、 Chen, Yuanyin,Li, Jiansen,Zhong, Zhenlin,Lu, Xueran. "An approach to calix[6]cryptands with bridgehead carbon atom: Stabilized in- and out- stereoisomers". . p. 15183 - 15188. Retrieved 2007/10/03.