ChemicalBook > CAS DataBase List > 4-(TERT-BUTYL)PHENYLACETYLENE

4-(TERT-BUTYL)PHENYLACETYLENE

Uses

Product Name: 4-(TERT-BUTYL)PHENYLACETYLENE
CAS No.: 772-38-3
Chemical Name: 4-(TERT-BUTYL)PHENYLACETYLENE
Synonyms: 1-(tert-Butyl)-4-ethynylbenzene;P-T-BUTYLPHENYLACETYLENE;Benzene, 1-(1,1-diMethylethyl)-4-ethynyl-;TIMTEC-BB SBB008840;4-(TERT-BUTYL)PHENYLACETYLENE;4-tert-Butylphenylacetylene 5GR;4-(tert-BUTYL)PHENYLACETYLENE 95%;4-tert-Butylphenylacetylene;4-(TERT-BUTYL)PHENYLACETYLENE,90+%;1-(tert-Butyl)-4-ethynylbenzene 95%
CBNumber: CB8397504
Molecular Formula: C12H14
Formula Weight: 158.24
MOL File: 772-38-3.mol

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4-(TERT-BUTYL)PHENYLACETYLENE Property

Boiling point:: 70 °C2 mm Hg(lit.)
Density: 0.877 g/mL at 25 °C(lit.)
refractive index: 1.528-1.53
Flash point:: 180 °F
storage temp.: 2-8°C
solubility: Chloroform (Slightly), Hexanes (Slightly)
form: liquid
color: Pale green to khaki-brown
Specific Gravity: 0.889
Water Solubility: Difficult to mix with water.
InChI: InChI=1S/C12H14/c1-5-10-6-8-11(9-7-10)12(2,3)4/h1,6-9H,2-4H3
InChIKey: ZSYQVVKVKBVHIL-UHFFFAOYSA-N
SMILES: C1(C(C)(C)C)=CC=C(C#C)C=C1
CAS DataBase Reference: 772-38-3(CAS DataBase Reference)

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Safety

Hazard Codes: N,Xi
Risk Statements: 50/53
Safety Statements: 36/37-60-61
RIDADR: UN 3082 9/PG 3
WGK Germany: 3
Hazard Note: Irritant
HazardClass: 9
HS Code: 29029090

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H410Very toxic to aquatic life with long lasting effects

Precautionary statements

P273Avoid release to the environment.

P391Collect spillage. Hazardous to the aquatic environment

P501Dispose of contents/container to..…

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N-Bromosuccinimide Price

Sigma-Aldrich

Product number: 593001
Product name: 4-tert-Butylphenylacetylene
Purity: 96%
Packaging: 5g
Price: $82
Updated: 2025/07/31

Sigma-Aldrich

Product number: 593001
Product name: 4-tert-Butylphenylacetylene
Purity: 96%
Packaging: 25g
Price: $288
Updated: 2025/07/31

GFS CHEMICALS

Product number: 80261
Product name: 4(T-BUTYL)PHENYLACETYLENE
Packaging: 10g
Price: $94.59
Updated: 2021/12/16

TRC

Product number: B813983
Product name: 4-(tert-Butyl)phenylacetylene
Packaging: 250mg
Price: $45
Updated: 2021/12/16

SynQuest Laboratories

Product number: 1900-1-X5
Product name: 4-tert-Butylphenylacetylene
Purity: 97%
Packaging: 5G
Price: $48
Updated: 2021/12/16

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4-(TERT-BUTYL)PHENYLACETYLENE Chemical Properties,Usage,Production

Uses

4-(tert-Butyl)phenylacetylene is a useful research chemical.

Chemical Properties

Clear pale yellowish-brown liquid

Uses

4-tert-Butylphenylacetylene is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.

Uses

4-tert-Butylphenylacetylene can be used in the synthesis of the following:

1,6-bis(4-tert-butylphenyl)hexa-1,5-diyne-3,4-dione
4,4′,5,5′-tetra(4-tert-butylphenylethynyl)dibenzo-24-crown-8-ether via Sonogashira coupling reaction with 4,4′,5,5′-tetraiododibenzo-24-crown-8-ether
1-(4-tert-butylphenyl)-2-(4-tert-butyldimethylsiloxyphenyl)acetylene via palladium catalyzed coupling with 4-(tert-butyldimethylsiloxy)iodobenzene

General Description

4-tert-Butylphenylacetylene can be synthesized from 4-tert-butylstyrene.

Synthesis

135883-30-6

772-38-3

General procedure for the synthesis of 4-tert-butylphenylacetylene from the compound (CAS:135883-30-6): the raw material (5.0 g, 21.7 mmol) was dissolved in a solvent mixture of 50 mL of methanol and 50 mL of dichloromethane, and finely powdered potassium carbonate (6.0 g, 43.5 mmol) was added. The suspension was stirred at room temperature for 3 hours. After completion of the reaction, the mixture was filtered through a bed of diatomaceous earth, water was added to the filtrate and extracted with ether. The ether layers were combined and washed twice with water (50 mL each), then the extract was dried with anhydrous sodium sulfate. The solvent was removed by evaporation under reduced pressure to give a colorless liquid product. The structure of the product was confirmed by 1H-NMR spectroscopy (CDCl3, 300 MHz): δ 1.33 (s, 9H), 3.04 (s, 1H), 7.35 (d, 2H, J = 8.3 Hz), 7.45 (d, 2H, J = 9.0 Hz). Mass spectrometry (EI) showed a molecular ion peak m/z 158.0 [M]+. The separation yield was 96% (3.3 g).

References

[1] Canadian Journal of Chemistry, 2001, vol. 79, # 5-6, p. 878 - 887
[2] Tetrahedron Letters, 2011, vol. 52, # 51, p. 6942 - 6947
[3] Organic Letters, 2014, vol. 16, # 3, p. 948 - 951
[4] Tetrahedron, 1997, vol. 53, # 45, p. 15515 - 15534
[5] Russian Journal of Organic Chemistry, 2000, vol. 36, # 8, p. 1157 - 1162

4-(TERT-BUTYL)PHENYLACETYLENE Preparation Products And Raw materials

Raw materials

Preparation Products

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View Lastest Price from 4-(TERT-BUTYL)PHENYLACETYLENE manufacturers

Career Henan Chemical Co

Product: 2-Amino-5-bromo-3-(hydroxymethyl)pyridine 335031-01-1
Price: US $1.00/KG
Min. Order: 1KG
Purity: 99%
Supply Ability: 100kg
Release date: 2019-12-19

Career Henan Chemical Co

Product: 4-(TERT-BUTYL)PHENYLACETYLENE 772-38-3
Price: US $1.00/KG
Min. Order: 1KG
Purity: 99%
Supply Ability: 100kg
Release date: 2019-12-19

772-38-3, 4-(TERT-BUTYL)PHENYLACETYLENERelated Search:

Phenylacetylene 4-(4-HYDROXY-1-BUTYNL)-A,A-DIMETHYLBENZENEACETIC ACID, METHYL ESTER 3-(5,5-DIMETHYL-8-PHENYL-5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YLETHYNYL)-BENZOIC ACID 4-[4-(METHANESULFONYLOXY)-1-BUTYNYL]-A,A-DI(METHYL-D3)BENZENEACETIC ACID, METHYL ESTER 3-(4-TERT-BUTYLBENZENE)PROPIONIC ACID 2-(4-TERT-BUTYLPHENYL)ACETYLENE-1-BORONIC ACID 4-(TERT-BUTYL)PHENYLACETYLENE ETHYL 3-(4-TERT-BUTYLPHENYL)PROPIOLATE 1-((2-(4-Ethynylphenyl)-2-methylpropoxy)methyl)-3-phenoxybenzene 3-(4-TERT-BUTYLBENZENE)PROPIONIC ACID, METHYL ESTER 2-(4-TERT-BUTYLPHENYL)ACETYLENE-1-BORONIC ACID DIISOPROPYL ESTER 4-(4-HYDROXY-1-BUTYNL)-A,A-DI-(METHYL-D3)-BENZENEACETIC ACID, METHYL ESTER

P-T-BUTYLPHENYLACETYLENE

TIMTEC-BB SBB008840

4-(TERT-BUTYL)PHENYLACETYLENE,90+%

4-(TERT-BUTYL)PHENYLACETYLENE

4-(tert-BUTYL)PHENYLACETYLENE 95%

1-(1,1-Dimethylethyl)-4-ethynylbenzene

Benzene, 1-(1,1-diMethylethyl)-4-ethynyl-

1-(tert-Butyl)-4-ethynylbenzene

4-tert-Butylphenylacetylene 5GR

4-(tert-BUTYL)PHENYLACETYLENE, 95%4-(tert-BUTYL)PHENYLACETYLENE, 95%4-(tert-BUTYL)PHENYLACETYLENE, 95%4-(tert-BUTYL)PHENYLACETYLENE, 95%

4-<i>tert</i>-Butylphenylacetylene

1-(tert-Butyl)-4-ethynylbenzene 95%

1-(tert-Butyl)-4-ethynylbenzene - [B93943]

772-38-3

CH33C6H4C8801CH

CH33CC6H4CCH

Alkynes

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