1-Isocyano-2,2-dimethyl-propane

Base Information

• Chemical Name: 1-Isocyano-2,2-dimethyl-propane
• CAS No.: 72443-18-6
• Molecular Formula: C6H11N
• Molecular Weight: 97.16
• Hs Code.: 2926909090
• European Community (EC) Number: 673-575-4
• DSSTox Substance ID: DTXSID70374427
• Nikkaji Number: J1.056.966D
• Wikidata: Q82163017
• Mol file: 72443-18-6.mol

Synonyms:72443-18-6;1-isocyano-2,2-dimethyl-propane;1-isocyano-2,2-dimethylpropane;2,2-Dimethylpropylisocyanide;Propane, 1-isocyano-2,2-dimethyl-;neopentyl isocyanide;neopentyl isonitrile;DTXSID70374427;XQBCCNOZAODMHL-UHFFFAOYSA-N;AKOS006295422;EN300-1842808

Chemical Property of 1-Isocyano-2,2-dimethyl-propane

Chemical Property:

• PSA: 0.00000
• LogP: 1.18250
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 97.089149355
• Heavy Atom Count: 7
• Complexity: 88.5

Purity/Quality:

98%Min ^*data from raw suppliers

PN100071:2,2-Dimethylpropylisocyanide 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C[N+]#[C-]

Technology Process of 1-Isocyano-2,2-dimethyl-propane

There total 5 articles about 1-Isocyano-2,2-dimethyl-propane 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: 91.0%

d(4)-methanol (811-98-3) + 3-(2,2-Dimethylpropyl)-3,5-dihydro-5,5-dimethyl-4H-1,2,3-triazol-4-on (104014-79-1) → neopentylisonitrile (72443-18-6) + acetone (67-64-1) + N-Deuterio-N-(2,2-dimethylpropyl)-2-methoxy-2-methylpropanamid

Guidance literature:

at 20 - 25 ℃; for 240h;

Reference yield:

4-(2,2-dimethylpropylimino)-3,3,5,5-tetramethyl-3,5-dihydro-4H-pyrazole (72443-12-0) → 2,3-Dimethyl-2-butene (563-79-1) + neopentylisonitrile (72443-18-6) + (2,2-Dimethyl-propyl)-tetramethylcyclopropylidene-amine (72443-14-2) + 4-(2,2-dimethylpropylimino)-3,3,5,5-tetramethyl-2,3,4,5-tetrahydro-1H-pyrazole (72443-17-5)

Guidance literature:

In benzene-d6; at 90 ℃; for 2h; Irradiation;

Reference yield:

(2,2-Dimethyl-propyl)-tetramethylcyclopropylidene-amine (72443-14-2) → 2,3-Dimethyl-2-butene (563-79-1) + neopentylisonitrile (72443-18-6)

Guidance literature:

Irradiation; other cyclopropanimines;

upstream raw materials:

d⁽⁴⁾-methanol

3-(2,2-Dimethylpropyl)-3,5-dihydro-5,5-dimethyl-4H-1,2,3-triazol-4-on

(2,2-Dimethyl-propyl)-tetramethylcyclopropylidene-amine

4-(2,2-dimethylpropylimino)-3,3,5,5-tetramethyl-3,5-dihydro-4H-pyrazole

Downstream raw materials:

benzylidene-(2,2-dimethyl-propyl)-amine

[Rh₂(CNCH₂C(CH₃)3)6]

C₆⁽²⁾H₅CHNCH₂C(CH₃)3

1,2,3,4-tetramethylfulvene

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