4041-95-6

Basic information

• Product Name: 1,3-Di-tert-butyl-2-thiourea
• Synonyms: N,N'-DI-TERT-BUTYLTHIOUREA;RARECHEM AQ A4 0030;1,3-DI-TERT-BUTYL-2-THIOUREA;AKOS B029782;1,3-[di-tert-butyl]thiourea;N,N'-Di-tert-butylthiourea,98%;N,N'-Di-tert-butyl-thioharnstoff
• CAS NO: 4041-95-6
• Molecular Formula: C₉H₂₀N₂S
• Molecular Weight: 188.33
• EINECS: 223-732-4
• Mol File: 4041-95-6.mol
• Article Data: 13

Chemical Properties

• Melting Point: 168 °C
• Boiling Point: 230.1 °C at 760 mmHg
• Flash Point: 93 °C
• Appearance: /
• Density: 0.943 g/cm³
• CAS DataBase Reference: 1,3-Di-tert-butyl-2-thiourea(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3-Di-tert-butyl-2-thiourea(4041-95-6)
• EPA Substance Registry System: 1,3-Di-tert-butyl-2-thiourea(4041-95-6)

Safety Data

• Statements: 20/21/22
• Safety Statements: 22-36/37/39
• Hazardous Substances Data: 4041-95-6(Hazardous Substances Data)

Usage

General Description

1,3-Di-tert-butyl-2-thiourea is a chemical compound with the molecular formula C9H18N2S. It is a thiourea derivative that is commonly used as a reagent in organic synthesis and as an intermediate in the production of rubber chemicals. 1,3-Di-tert-butyl-2-thiourea is known for its high thermal stability and strong hydrogen bonding properties, making it useful in various industrial applications. It is also utilized as a catalyst in the synthesis of various organic compounds and as a stabilizer in the production of polymers. Additionally, 1,3-Di-tert-butyl-2-thiourea has potential pharmaceutical applications due to its ability to form complex structures with metal ions and its anti-tumor properties, making it a subject of interest in biomedical research.

Upstream product

• 590-42-1 tert-butyl isothiocyanate 
• 95-54-5 1,2-diamino-benzene 
• 1251738-12-1 C₅H₁₁NS₂*C₇H₁₆N₂ 
• 75-64-9 tert-butylamine 
• 74734-11-5 1H-imidazole-1-carbodithioic acid methyl ester 
• 75-15-0 carbon disulfide 
• 534-18-9 sodium trithiocarbonate 
• 56-23-5 tetrachloromethane 
• 131367-91-4 1,3-Di-tert-butyl-2,4-bis-(2-chloro-phenyl)-[1,3,2,4]diazadiarsetidine 
• 125910-97-6 1,3-di-tert-butyl-2,4-bis(o-methoxyphenyl)-1,3,2,4-diazadiarsetidine 
• 125910-96-5 2,4-Bis-(4-bromo-phenyl)-1,3-di-tert-butyl-[1,3,2,4]diazadiarsetidine 
• 125910-95-4 1,3-di-tert-butyl-2,4-di-p-tolyl-1,3,2,4-diazadiarsetidine 
• 64-17-5 ethanol 

Downstream Products

• 81233-49-0 1-t-Butyl-2-phenyl-1,3-diaza-2-bora-cyclobutanthion-4 
• 145865-62-9 1,4-di-tert-butyl-2,2,3,3-tetramethyl-5-thio-1,4-diaza-2,3-digermolane 
• 137196-31-7 2,2-dimesityl-1,3-di-tert-butyl 4-thio-1,3-diaza-2-germetane 
• 142-08-5 2-hydroxypyridin 
• 691-24-7 1,3-di-tert-butylcarbodiimide 
• 590-42-1 tert-butyl isothiocyanate 

Relevant articles and documents

Hydroamination and Hydrophosphination of Isocyanates/Isothiocyanates under Catalyst-Free Conditions

Symmetrical and unsymmetrical N,N’-disubstituted as well as trisubstituted ureas/thioureas by the hydroamination of isocyanates/isothiocyanates, and various phosphathioureas by the hydrophosphination of isothiocyanates have been synthesized in good to excellent yields under catalyst-free and mild conditions. This protocol is also applicable for the efficient synthesis of chiral ureas and thioureas and common herbicides, such as fenuron and monuron.

Green process development for the synthesis of aliphatic symmetrical N,N'-disubstituted thiourea derivatives in aqueous medium

A highly efficient green process for the synthesis of N,N'-disubstituted aliphatic thiourea derivatives using primary aliphatic amines and carbon disulfide in aqueous medium at room temperature via a nonisothiocyanate route is described. This protocol illustrates the rapid preparation of N,N'-disubstituted aliphatic thiourea derivatives in excellent yields with some advantages such as no catalyst and simple workup without any side product formation. Moreover the new route is concise, chromatography-free, and adaptable to pilot-scale preparation.

In situ formation of thermally stable, room-temperature ionic liquids from CS2 and amidine/amine mixtures

Amidinium dithiocarbamates salts with diverse structures are prepared in situ by adding one equivalent of CS2 to an equimolar mixture of two nonionic molecules, an amidine and an amine. Many of the salts made in this way are room temperature ionic liquids (RTILs) and the others (ILs) melt well below the decomposition temperature of the salts, ca. 80 °C. Unlike the analogous amidinium carbamate RTILs, which are made by adding CO2 to amidine/amine mixtures and decompose near 50 °C, the amidinium dithiocarbamates do not revert to their amidine/amine mixtures when they are heated. The thermal, rheological, conductance, and spectroscopic properties of representative examples from a total of 50 of these ILs and RTILs are reported, comparisons between them and their nonionic phases (as well as with their amidinium carbamates analogues) are made, and the thermolysis pathways of the ammonium dithiocarbamates are investigated.