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1-(2-Thiazolyl)-1-propanone

1-(2-Thiazolyl)-1-propanone structure

CAS No:
43039-98-1
Formula:
C6H7NOS
Chemical Name:
1-(2-Thiazolyl)-1-propanone
Synonyms:
1-Propanone,1-(2-thiazolyl)-;1-(2-Thiazolyl)-1-propanone;1-(1,3-Thiazol-2-yl)propan-1-one
Categories:
Flavors and Fragrances > Synthetic Fragrances

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Description

Pale yellow, oily liquid; brown-roasted, vanilla-like odour

1-(2-Thiazolyl)-1-propanone Basic Attributes

Molecular Weight：

141.19

Exact Mass：

141.19

EC Number：

610-101-7

UNII：

05CB62UH9K

DSSTox ID：

DTXSID90195651

HScode：

2934100090

Characteristics

PSA：

58.2

XLogP3：

1.4

Density：

1.174

Boiling Point：

110°C/5mm

Flash Point：

110°C/5mm

Refractive Index：

1.534

Water Solubility：

Not miscible or difficult to mix with water.

Safety Information

Hazard category：

IRRITANT

Transport codes：

1993

hazard class code：

10-36/37/38-41-37/38-22

safety instructions：

26-36/37/39-39

RTECS Number：

XJ5123000

Marks：

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

1-(2-Thiazolyl)-1-propanone Use and Manufacturing

Methods of Manufacturing

General procedure: To a round-bottom flask that was flame-dried and cooled under nitrogen were added allylic alcohol 51 (0.5 mmol) and THF (2.5 mL). After stirring at 0 °C for 5 min, NaH powder (1 mmol, 2 equiv) was added in one portion, the mixture was then allowed to warm to room temperature. The reaction was quenched by addition of saturated NHGeneral procedure: To a round-bottom flask that was flame-dried and cooled under nitrogen were added allylic alcohol 51 (0.5 mmol) and THF (2.5 mL). After stirring at 0 °C for 5 min, NaH powder (1 mmol, 2 equiv) was added in one portion, the mixture was then allowed to warm to room temperature. The reaction was quenched by addition of saturated NHGeneral procedure: To a round-bottom flask that was flame-dried and cooled under nitrogen were added allylic alcohol 51 (0.5 mmol) and THF (2.5 mL). After stirring at 0 °C for 5 min, NaH powder (1 mmol, 2 equiv) was added in one portion, the mixture was then allowed to warm to room temperature. The reaction was quenched by addition of saturated NH4Cl (2 mL) after the indicated time, extracted with EtOAc (10 mL.x.2), and washed by brine (15 mL). The combined organic phase was dried over MgSO4, the solvent was removed under vacuum, and the residue was purified by flash chromatography on silica gel to give the desired ketone product 52.The product so obtained was reacted with The product so obtained was reacted with

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:141.19
XLogP3:1.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:141.02483502
Monoisotopic Mass:141.02483502
Topological Polar Surface Area:58.2
Heavy Atom Count:9
Complexity:116
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 1-(2-Thiazolyl)-1-propanone

Hangzhou KieRay Chem Co.,LTD Contact Supplier

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2-PROPIONYLTHIAZOLE

CAS No.: 43039-98-1

Grade: industrial Grade

Content: 98%

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Shanghai Lonwin Chemical Co.,Ltd Contact Supplier

CN
3 YRS

Business licensed

Trader Supplier of CHEMICALS,REAGENTS

High quality 2-Propionyl thiazole CAS NO.43039-98-1

CAS No.: 43039-98-1

Grade: Pharmaceutical Grade

Content: 99%

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Guide of 1-(2-Thiazolyl)-1-propanone

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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1-(2-Thiazolyl)-1-propanone

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