CAS No.690-94-8,DIMETHYL(VINYL)ETHYNYLCARBINOL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	690-94-8
Name:	DIMETHYL(VINYL)ETHYNYLCARBINOL
Article Data:	26

Formula:	C7H10 O
Molecular Weight:	110.156
Synonyms:	4-Penten-2-yn-1-ol,1,1-dimethyl- (7CI); 1,1-Dimethylbut-4-en-2-yn-1-ol;2-Methyl-3-hexyn-5-en-2-ol; 2-Methyl-5-hexen-3-yn-2-ol; 5-Methyl-1-hexen-3-yn-5-ol;Dimethyl(vinylethynyl)carbinol; Nazarov carbinol; Nazarov's carbinol
Density:	0.917g/cm³
Boiling Point:	159.9°C at 760 mmHg
Flash Point:	59.9°C
Safety:	Poison by inhalation. Moderately toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating fumes.
PSA:	20.23000
LogP:	0.94670

Synthetic route

: 593-60-2
Vinyl bromide

: 115-19-5
2-methyl-but-3-yn-2-ol

: 690-94-8
dimethyl(vinylethynyl)carbinol

Conditions

Conditions	Yield
With copper(l) iodide; tetrakis(triphenylphosphine) palladium(0) In tetrahydrofuran; diethylamine at 0 - 20℃; for 12h;	91%
With copper(l) iodide; tetrakis(triphenylphosphine) palladium(0); potassium hydroxide In tetrahydrofuran; diethylamine at 0 - 20℃; for 12h;	91%
With copper(l) iodide; tetrakis(triphenylphosphine) palladium(0); diethylamine In tetrahydrofuran at 23℃; for 2.5h;	84%
copper(l) iodide; tetrakis(triphenylphosphine) palladium(0) In tetrahydrofuran; diethylamine at 23℃; for 2.5h;	84%
With copper(l) iodide; diisopropylamine; bis-triphenylphosphine-palladium(II) chloride In tetrahydrofuran at 20℃; Sonogashira coupling;	80%

: 2768-02-7
(vinyl)trimethoxylsilane

: 115-19-5
2-methyl-but-3-yn-2-ol

: 690-94-8
dimethyl(vinylethynyl)carbinol

Conditions

Conditions	Yield
With tetrabutyl ammonium fluoride; copper diacetate In 1,4-dioxane at 30℃;	47%

: 593-60-2
Vinyl bromide

: 115-19-5
2-methyl-but-3-yn-2-ol

A: 5929-72-6
2,7-dimethyl-octa-3,5-diyne-2,7-diol

B: 690-94-8
dimethyl(vinylethynyl)carbinol

Conditions

Conditions	Yield
With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; diisopropylamine In tetrahydrofuran at 20℃; Inert atmosphere;	A 20% B 42%

...Expand

: 689-97-4
3-buten-1-yne

: 67-64-1
acetone

: 690-94-8
dimethyl(vinylethynyl)carbinol

Conditions

Conditions	Yield
With diethyl ether unter starkem Kuehlen mit KOH;
With potassium hydroxide; sodium hydroxide
With diethyl ether unter starkem Kuehlen mit NaNH2;
With potassium hydroxide In ammonia at 30 - 40℃;

: 764-41-0
1,4-dichloro-2-butene

: 67-64-1
acetone

: 690-94-8
dimethyl(vinylethynyl)carbinol

Conditions

Conditions	Yield
With ammonia; sodium amide

: 310447-99-5, 310448-01-2
3,4-dichlorobut-1-ene

: 67-64-1
acetone

: 690-94-8
dimethyl(vinylethynyl)carbinol

Conditions

Conditions	Yield
With ammonia; sodium amide

: 14763-72-5
3-buten-1-ynylmagnesium bromide

: 67-64-1
acetone

: 690-94-8
dimethyl(vinylethynyl)carbinol

Conditions

Conditions	Yield
With diethyl ether
With diethyl ether
With diethyl ether

: 689-97-4
3-buten-1-yne

: 7473-98-5
2-hydroxy-2-methylpropiophenone

: 690-94-8
dimethyl(vinylethynyl)carbinol

Conditions

Conditions	Yield
With ammonia; sodium; ferric nitrate

: 819-44-3
5-chloro-5-methyl-1-hexen-3-yne

: 7732-18-5
water

: 690-94-8
dimethyl(vinylethynyl)carbinol

: 20728-33-0
5-bromo-5-methyl-hex-1-en-3-yne

KOH: KOH

: 690-94-8
dimethyl(vinylethynyl)carbinol

Downstream Products

108-48-5

67-64-1

689-97-4

108-75-8

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Chemistry

IUPAC Name: 2-methylhex-5-en-3-yn-2-ol
The MF of 2-METHYL-5-HEXEN-3-YN-2-OL(690-94-8): C₇H₁₀O
The MW of 2-METHYL-5-HEXEN-3-YN-2-OL(690-94-8): 110.1537
Density: 0.917 g/cm³
Flash Point: 59.9 °C
Boiling Point: 159.9 °C at 760 mmHg
Index of Refraction: 1.473
Synonyms: DIMETHYL(VINYL)ETHYNYLCARBINOL;2-METHYL-5-HEXEN-3-YN-2-OL;2-Methylhexa-5-en-3-in-2-ol
The Structure of 2-METHYL-5-HEXEN-3-YN-2-OL(690-94-8):

Toxicity Data With Reference

1.	orl-rat LD50:600 mg/kg	85GMAT Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure Izmerov, N.F., et al.,Moscow, USSR.: Centre of International Projects, GKNT,1982,60.
2.	orl-mus LD50:590 mg/kg	85GMAT Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure Izmerov, N.F., et al.,Moscow, USSR.: Centre of International Projects, GKNT,1982,60.
3.	ihl-mus LCLo:30 mg/m3/2H	85GMAT Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure Izmerov, N.F., et al.,Moscow, USSR.: Centre of International Projects, GKNT,1982,60.
4.	orl-rbt LD50:800 mg/kg	85GMAT Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure Izmerov, N.F., et al.,Moscow, USSR.: Centre of International Projects, GKNT,1982,60.
5.	orl-gpg LD50:600 mg/kg	85GMAT Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure Izmerov, N.F., et al.,Moscow, USSR.: Centre of International Projects, GKNT,1982,60.

Safety Profile

Poison by inhalation. Moderately toxic by ingestion. When heated to decomposition it emits acrid smoke and irritating fumes.