1-tert-butyl-3-methylurea

Base Information

• Chemical Name: 1-tert-butyl-3-methylurea
• CAS No.: 25347-94-8
• Molecular Formula: C6H14 N2 O
• Molecular Weight: 130.19
• Mol file: 25347-94-8.mol

Synonyms:Urea,1-tert-butyl-3-methyl- (7CI,8CI); 1-Methyl-3-tert-butylurea;1-tert-Butyl-3-methylurea; N-tert-Butyl-N'-methylurea; NSC 409963

Chemical Property of 1-tert-butyl-3-methylurea

Chemical Property:

• Vapor Pressure: 0.0231mmHg at 25°C
• Boiling Point: 249.3°Cat760mmHg
• Flash Point: 111.5°C
• Density: 0.914g/cm³

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1-tert-butyl-3-methylurea

There total 5 articles about 1-tert-butyl-3-methylurea 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: 79.0%

tert-butylamine (75-64-9) + methyl isocyanate (624-83-9) → N-tert-Butyl-N'-methylharnstoff (25347-94-8)

Guidance literature:

In diethyl ether; cooling;

DOI:10.1021/jo01293a023

Reference yield: 40.0%

3-t-butyl-1-methyl-1-nitrosothiourea (95598-14-4) → N-methyl-N'-tert-butylthiourea (3964-50-9) + N-tert-Butyl-N'-methylharnstoff (25347-94-8)

Guidance literature:

With acetic acid; sodium nitrite; In methanol; water; at 37 ℃; for 1h; Yield given. Title compound not separated from byproducts;

DOI:10.1246/bcsj.58.2844

Reference yield:

N-methyl-N'-tert-butylthiourea (3964-50-9) → N-tert-Butyl-N'-methylharnstoff (25347-94-8)

Guidance literature:

Multi-step reaction with 2 steps

1: 69 percent / NaNO₂, HCl / H₂O; CH₂Cl₂ / 0.67 h / 0 °C

2: acetic acid, pH 4.6 / H2O / ΔH(act.), ΔS(act), various temperature, various pH

With hydrogenchloride; acetic acid; sodium nitrite; In dichloromethane; water;

DOI:10.1246/bcsj.58.2844

upstream raw materials:

tert-butylamine

methyl isocyanate

3-t-butyl-1-methyl-1-nitrosothiourea

alpha cyclodextrin

Downstream raw materials:

N-(4-tert-butylimino-3-methyl-[1,3]thiazetidin-2-ylidene)-toluene-4-sulfonamide

N-(3-tert-Butyl-1,2-dimethyl-isoureidocarbonyl)-benzamide

1-Benzoyl-3-methyl-5-tert-butylbiuret

4-methyl-N-(tert-butylcarbamoyl)benzenesulfonamide

Refernces

• 1、 Isobe, Masayoshi. "Electronic and Steric Effects of Alkyl Group on Denitrosation of 3-Alkyl-1-methyl-1-nitrosothioureas". . p. 2844 - 2848. Retrieved 2007/10/02.
• 2、 Snyder, John K.,Stock, Leon M.. "Conformational Preferences in Alkylnitrosoureas". . p. 886 - 891. Retrieved 2007/10/02.