ChemicalBook > CAS DataBase List > TERT-BUTYL PROPIOLATE

TERT-BUTYL PROPIOLATE

Product Name
TERT-BUTYL PROPIOLATE
CAS No.
13831-03-3
Chemical Name
TERT-BUTYL PROPIOLATE
Synonyms
141008;ert-Butylpropiolate;TERT-BUTYL PROPIOLATE;tert-ButylPropiolate>Propiolicacidbutylester;tert-Butyl Propargylate;tert-Butyl 2-propynoate;tert-butyl prop-2-ynoate;tert-Butyl propiolate;1,1-Dimethylethyl 2-propynoate
CBNumber
CB2445906
Molecular Formula
C7H10O2
Formula Weight
126.15
MOL File
13831-03-3.mol
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TERT-BUTYL PROPIOLATE Property

Melting point:
18-20 °C (lit.)
Boiling point:
52-53 °C/27 mmHg (lit.)
Density 
0.919 g/mL at 25 °C (lit.)
refractive index 
n20/D 1.418(lit.)
Flash point:
82 °F
storage temp. 
Keep in dark place,Inert atmosphere,2-8°C
form 
Liquid
color 
Clear colorless to yellow
Sensitive 
Air Sensitive
BRN 
1747175
InChI
InChI=1S/C7H10O2/c1-5-6(8)9-7(2,3)4/h1H,2-4H3
InChIKey
XGTPDIIFEPTULX-UHFFFAOYSA-N
SMILES
C(OC(C)(C)C)(=O)C#C
CAS DataBase Reference
13831-03-3(CAS DataBase Reference)
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Safety

Hazard Codes 
Xi
Risk Statements 
10-36/37/38
Safety Statements 
26-36/37/39
RIDADR 
UN 3272 3/PG 3
WGK Germany 
3
F 
4.5-10-23
HazardClass 
3.1
PackingGroup 
II
HS Code 
29161995
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H226Flammable liquid and vapour

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.

P233Keep container tightly closed.

P240Ground/bond container and receiving equipment.

P241Use explosion-proof electrical/ventilating/lighting/…/equipment.

P303+P361+P353IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
419885
Product name
tert-Butyl propiolate
Purity
98%
Packaging
1g
Price
$147
Updated
2025/07/31
TCI Chemical
Product number
P1038
Product name
tert-Butyl Propiolate
Purity
>98.0%(GC)
Packaging
5g
Price
$217
Updated
2025/07/31
TCI Chemical
Product number
P1038
Product name
tert-Butyl Propiolate
Purity
>98.0%(GC)
Packaging
25g
Price
$660
Updated
2025/07/31
TRC
Product number
T135900
Product name
tert-Butyl Propiolate
Packaging
50mg
Price
$45
Updated
2021/12/16
Activate Scientific
Product number
AS42894
Product name
tert-Butyl propiolate
Purity
98%
Packaging
1g
Price
$62
Updated
2021/12/16
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TERT-BUTYL PROPIOLATE Chemical Properties,Usage,Production

Uses

tert-Butyl propiolate may be used in the preparation of heterocycles, alkaloids, and unsaturated amino acids.

Uses

TERT-BUTYL PROPIOLATE is used to prepare heterocycles,1,2 alkaloids,3 and unsaturated amino acids.4

General Description

tert-Butyl propiolate is an ester. It reacts with methimazole to afford tert-butyl (E)-3-(1-methyl-1H-imidazol-2-ylthio) acrylate. Crystallographic data for the lithium enolate of tert-butyl propiolate has been described..

Synthesis

471-25-0

75-65-0

13831-03-3

General procedure for the synthesis of tert-butyl propargylate from propargyl acid and tert-butanol: About 60 g of propargyl acid, about 100 g of N,N'-dicyclohexylcarbodiimide, about 10 g of 4-(dimethylamino)pyridine, and about 20 g of tert-butanol were dissolved in tetrahydrofuran, and the reaction was stirred for about 24 hours. Upon completion of the reaction, extraction was carried out with dichloromethane and water. The extracted organic layer was dried with a chemical desiccant and subsequently purified by column chromatography to give about 80 g of tert-butyl propargylate.

References

[1] Patent: JP2016/533394, 2016, A. Location in patent: Paragraph 0103
[2] Organic Letters, 2018, vol. 20, # 13, p. 4023 - 4027

TERT-BUTYL PROPIOLATE Preparation Products And Raw materials

Raw materials

Preparation Products

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TERT-BUTYL PROPIOLATE Suppliers

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View Lastest Price from TERT-BUTYL PROPIOLATE manufacturers

Hebei Chuanghai Biotechnology Co., Ltd
Product
TERT-BUTYL PROPIOLATE 13831-03-3
Price
US $0.00-0.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
20 mt
Release date
2024-11-25
Shanghai UCHEM Inc.
Product
TERT-BUTYL PROPIOLATE 13831-03-3
Price
US $41.00-504.00/g
Min. Order
5g
Purity
0.98
Supply Ability
25kg
Release date
2023-12-18
Zhuozhou Wenxi import and Export Co., Ltd
Product
tert-Butyl propiolate 13831-03-3
Price
US $15.00-10.00/KG
Min. Order
1KG
Purity
99%+ HPLC
Supply Ability
Monthly supply of 1 ton
Release date
2021-07-10

13831-03-3, TERT-BUTYL PROPIOLATERelated Search:

Trifluoromethanesulfonic acid tert-butyldimethylsilyl ester Propionamide Ethyl propenyl ether Pyruvic acid 2,2-Dimethyl-1,3-dioxolane-4-methanol Sodium pyruvate Ethyl pyruvate Octadecyl acrylate Hydroxypropyl acrylate Acrolein diethyl acetal tert-Butyl carbamate TERT-BUTOXY ACETIC ACID 2-tert-Butyl-1,4-benzoquinone TERT-BUTYL VINYL ETHER TERT-BUTYLDIMETHYL(2-PROPYNYLOXY)SILANE tert-Butyl N-(3-aminopropyl)-N-methylcarbamate TERT-BUTYL 3-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOL-1-YL)AZETIDINE-1-CARBOXYLATE tert-Butyldiphenylsilane

  • Propargylic Acid tert-Butyl Ester Propiolic Acid tert-Butyl Ester
  • tert-butyl prop-2-ynoate
  • Propynoic acid tert-butyl ester
  • 2-Propynoic acid,1,1-diMethylethyl ester
  • PROPARGYLIC ACID TERT-BUTYL ESTER
  • PROPIOLIC ACID TERT-BUTYL ESTER
  • TERT-BUTYL ACETYLENECARBOXYLATE
  • TERT-BUTYL PROPIOLATE
  • Propiolicacidbutylester
  • 141008
  • tert-ButylPropiolate&gt
  • ert-Butylpropiolate
  • tert-Butyl Propargylate
  • 13831-03-3 (TERT-BUTYL PROPIOLATE)
  • 1,1-Dimethylethyl 2-propynoate
  • tert-Butyl 2-propynoate
  • <i>tert</i>-Butyl propiolate
  • 13831-03-3
  • HC8801CCOOCCH33
  • Acetylenic Carboxylic Acids & Their Derivatives
  • Acetylenes
  • Organic Building Blocks
  • Esters
  • Building Blocks
  • C6 to C7
  • Carbonyl Compounds
  • Building Blocks
  • C6 to C7
  • Carbonyl Compounds
  • Chemical Synthesis
  • Esters
  • Organic Building Blocks
  • Acetylenes
  • Acetylenic Carboxylic Acids & Their Derivatives