3029-48-9

Basic information

• Product Name: Thiocyanic acid, 2-oxopropyl ester (9CI)
• Synonyms: Thiocyanic acid, 2-oxopropyl ester (9CI);HBEQAYDPEJTYND-UHFFFAOYSA-N
• CAS NO: 3029-48-9
• Molecular Formula: C₄H₅NOS
• Molecular Weight: 115.1536
• Product Categories: ACETYLGROUP
• Mol File: 3029-48-9.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 70-73 °C(Press: 1 Torr)
• Appearance: /
• Density: 1.1892 g/cm3(Temp: 15 °C)
• CAS DataBase Reference: Thiocyanic acid, 2-oxopropyl ester (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Thiocyanic acid, 2-oxopropyl ester (9CI)(3029-48-9)
• EPA Substance Registry System: Thiocyanic acid, 2-oxopropyl ester (9CI)(3029-48-9)

Safety Data

• Hazardous Substances Data: 3029-48-9(Hazardous Substances Data)

Upstream product

• 2092-17-3 barium thiocyanate 
• 78-95-5 chloroacetone 
• 7677-24-9 trimethylsilyl cyanide 
• 67-64-1 acetone 
• 540-72-7 sodium thiocyanide 
• 333-20-0 potassium thioacyanate 
• 598-31-2 1-bromoacetone 
• 60211-88-3 trans-2-iodo-1-thiocyanatocyclohexane 
• 302-04-5 Thiocyanate 
• 64-17-5 ethanol 
• 5908-82-7 barium thiocyanate trihydrate 

Downstream Products

• 114765-12-7 4-[N'-(4-methyl-thiazol-2-yl)-hydrazino]-benzenesulfonic acid amide; hydrochloride 
• 90916-46-4 (4-methyl-thiazol-2-yl)-phenyl-amine 
• 7238-61-1 2-bromo-4-methyl-thiazole 
• 72631-48-2 4-methyl-2-(4-sulfophenylamino)-thiazole 
• 26847-01-8 2-chloro-4-methyl-1,3-thiazole 
• 32497-10-2 4-methyl-2(3H)-thiazolone 
• 1603-91-4 4-methylthiazol-2-ylamine 
• 14542-12-2 (1,3-thiazol-2-yl)methanol 
• 693-95-8 4-Methylthiazole 
• 95915-14-3 N-(3-Methyl-2-carboxy-phenyl)-S-acetonyl-isothiuronium 

Relevant articles and documents

Improved procedure for the synthesis of thiazolium-type peptide coupling reagents: BMTB as a new efficient reagent

An efficient scalable synthesis of 2-halothiazolium-type peptide coupling reagents has been developed. The key step is the formation of the 2-bromothiazole scaffold through cyclization of α-thiocyanato ketones with hydrogen bromide. Using this method, the new coupling reagent 2-bromo-N-methylthiazolium bromide (BMTB) was synthesized. BMTB was tested in a difficult model coupling reaction of two sterically hindered N-methylated amino acids and showed higher activity than the well-established peptide coupling reagent HATU.

α-Selective C(sp3)-H Thio/Selenocyanation of Ketones with Elemental Chalcogen

A facile method is disclosed for the synthesis of α-thio/selenocyanato ketones through regioselective C-H thio/selenocyanation of ketones. The advantages include the use of easily available starting materials, high efficiency, simple operation, and easy scale-up. Control experiments provide evidence that the reaction proceeded via a radical way, while kinetic isotope effect experiments reveal that the cleavage of the C-H bond serves as the rate-limiting step.

Azo dye and azo compound

An azo dye including a compound represented by formula (I): wherein R1 represents a hydroxyl group, an aliphatic sulfonyl amino group, an aryl sulfonyl amino group, an aliphatic oxy group, an aryloxy group, or -CH(R2)(R3); R2 and R3 each represent a substituent with a a value of the Hammett's rule in the range of 0.2 or more and less than 1.4, and may be identical to or different from each other; W represents a sulfur atom or -N-(-R4)-; R4 represents a substituent; R5 represents a substituent; X, Y, and Z each represent an atom required for forming a five-membered aromatic heterocycle, where at least one atom of X, Y, and Z represents a nitrogen atom but both X and Y do not represent a carbon atom when Z represents a nitrogen atom; and R6 represents a hydrogen atom or a substituent, n represents 1 or 2, and two R6s may be coupled together to form an aromatic ring or a heteroaromatic ring when n represents 2.