1-Iodo-2,2-dimethylpropane

Base Information

• Chemical Name: 1-Iodo-2,2-dimethylpropane
• CAS No.: 15501-33-4
• Molecular Formula: C5H11I
• Molecular Weight: 198.047
• Hs Code.: 29033990
• European Community (EC) Number: 239-533-0
• NSC Number: 617421
• UNII: BV5L8SHD6W
• DSSTox Substance ID: DTXSID3065904
• Nikkaji Number: J317.944C
• Wikidata: Q72494010
• ChEMBL ID: CHEMBL1993907
• Mol file: 15501-33-4.mol

Synonyms:1-Iodo-2,2-dimethylpropane;Neopentyl iodide;15501-33-4;Propane, 1-iodo-2,2-dimethyl-;2,2-Dimethyl-1-iodopropane;BV5L8SHD6W;1-iodo-2,2-dimethyl-propane;EINECS 239-533-0;Neopentyliodide;1-Iodo-2,2-dimethylpropane, 98%;NSC617421;UNII-BV5L8SHD6W;2,2-Dimethylpropyl iodide;SCHEMBL77943;CHEMBL1993907;DTXSID3065904;AMY25581;AT22032;NSC-617421;AS-80416;NCI60_005259;FT-0659435;EN300-7215960;Q-201459;1-Iodo-2,2-dimethylpropane, technical, >=95% (GC)

Chemical Property of 1-Iodo-2,2-dimethylpropane

Chemical Property:

• Appearance/Colour: colourless to light red liquid
• Vapor Pressure: 14.2mmHg at 25°C
• Melting Point: -85.6°C (estimate)
• Refractive Index: n20/D 1.489(lit.)
• Boiling Point: 126.2 °C at 760 mmHg
• Flash Point: 32.8 °C
• PSA: 0.00000
• Density: 1.524 g/cm³
• LogP: 2.46750
• Storage Temp.: Flammables area
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 197.99055
• Heavy Atom Count: 6
• Complexity: 33.7

Purity/Quality:

97% ^*data from raw suppliers

1-Iodo-2,2-dimethylpropane 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 10-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)(C)CI

Technology Process of 1-Iodo-2,2-dimethylpropane

There total 24 articles about 1-Iodo-2,2-dimethylpropane 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: 74.0%

2,2-dimethyl-propanol-1 (75-84-3) → neopentyl iodide (15501-33-4)

Guidance literature:

With 1-iodo-N,N,2-trimethylprop-1-en-1-amine; In dichloromethane; for 12h; Reflux; Inert atmosphere;

DOI:10.1016/j.tet.2015.11.060

Reference yield: 68.0%

neopentyl 2-(dimethylamino)ethanesulfonate (75391-29-6) → neopentyl iodide (15501-33-4)

Guidance literature:

With hydrogen iodide; In water; N,N-dimethyl-formamide; at 120 - 130 ℃; for 2.5h;

DOI:10.1021/ja00389a038

Reference yield: 68.0%

2-dimethylamino-ethanesulfonic acid 2,2-dimethyl-propyl ester; hydriodide (66143-46-2) → neopentyl iodide (15501-33-4)

Guidance literature:

In water; N,N-dimethyl-formamide; at 120 - 130 ℃; for 2h;

DOI:10.1021/ja00389a038

upstream raw materials:

2,2-dimethyl-propanol-1

neopentyl tosylate

2,2-dimethylpropylmagnesium chloride

methyl iodide

Downstream raw materials:

2,2-dimethylpropane

1-ethoxy-2,2-dimethyl-propane

2-methyl-2-butylchloride

2,3-dichloro-2-methylbutane