tert-Butylmethylnitrosamine

Base Information

• Chemical Name: tert-Butylmethylnitrosamine
• CAS No.: 2504-18-9
• Molecular Formula: C15H24 O2
• Molecular Weight: 116.19
• European Community (EC) Number: 856-661-8
• UNII: GGC4CMK8EG
• DSSTox Substance ID: DTXSID20947903
• Nikkaji Number: J2.158J
• Wikidata: Q82925719
• ChEMBL ID: CHEMBL349916
• Mol file: 2504-18-9.mol

Synonyms:N-nitroso-tert-butylmethylamine;tert-butylmethylnitrosamine

Chemical Property of tert-Butylmethylnitrosamine

Chemical Property:

• Vapor Pressure: 1.41mmHg at 25°C
• Melting Point: 22-23 °C
• Refractive Index: 1.4496 (estimate)
• Boiling Point: 177.3°Cat760mmHg
• PKA: -2.89±0.70(Predicted)
• Flash Point: 61°C
• PSA: 32.67000
• Density: 0.91g/cm³
• LogP: 1.39810
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 116.094963011
• Heavy Atom Count: 8
• Complexity: 84.9

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)N(C)N=O
• Uses: N-Nitroso-methyl-tertbutyl-amine is used in the rubber industry.

Technology Process of tert-Butylmethylnitrosamine

There total 2 articles about tert-Butylmethylnitrosamine 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: 89.0%

N-methyl-tert-butylamine (14610-37-8) → tert-butyl-methyl-nitroso-amine (2504-18-9)

Guidance literature:

With silica gel; citric acid; sodium nitrite; In methanol; dichloromethane; at 20 ℃; for 3h; Inert atmosphere;

DOI:10.1021/acs.orglett.7b00051

Reference yield:

→ tert-butyl-methyl-nitroso-amine (2504-18-9)

Guidance literature:

N-Methyl-tert-butylamin-HCl, NaNO2;

DOI:10.1021/jo00940a033

Reference yield: 97.0%

tert-butyl-methyl-nitroso-amine (2504-18-9) + C28H27ClNO5PS → (R)-N-(tert-butyl)-N-(((2-methoxyphenyl)(phenyl)phosphoryl)methyl)nitrous amide

Guidance literature:

tert-butyl-methyl-nitroso-amine; With N,N,N,N,N,N-hexamethylphosphoric triamide; lithium diisopropyl amide; In tetrahydrofuran; at -78 ℃; Inert atmosphere;

C₂₈H₂₇ClNO₅PS; In tetrahydrofuran; at -78 ℃; enantioselective reaction; Inert atmosphere;

DOI:10.1021/acs.orglett.7b00051

upstream raw materials:

N-methyl-tert-butylamine

Downstream raw materials:

ω-(N-Nitroso-tert-butylamino)-acetophenon

C₁₇H₂₈N₄O₃

C₈H₂₀N₂OSi

C₁₈H₂₂N₂O₂

Refernces

• 1、 Demir,Mahasneh,Aksoy,Gercek. "The mild N-nitrosation of secondary amines with trichloro nitromethane". . p. 2607 - 2611. Retrieved 2007/10/02.