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1070-75-3

Basic Information
CAS No.: 1070-75-3
Name: dilithium acetylide
Article Data: 12
Molecular Structure:
Molecular Structure of 1070-75-3 (dilithium acetylide)
Formula: C2Li2
Molecular Weight: 37.904
Synonyms: Dilithioacetylene;Dilithium acetylide; Dilithium carbide; Lithium acetylide; Lithium carbide(Li2(C2))
Density: g/cm3
Boiling Point: °Cat760mmHg
Flash Point: °C
Safety: Ignites and burns vigorously in fluorine, chlorine, phosphorus, selenium, or sulfur vapors. Ignites when heated in bromine or iodine vapors. When heated to decomposition it emits acrid smoke and fumes. See also LITHIUM COMPOUNDS and ACETYLIDES.
PSA: 0.00000
LogP: 0.38760
Synthetic route
109-72-8, 29786-93-4

n-butyllithium

56862-34-1

N-(1-phenylethyl)-N-(prop-2-yn-1-yl)amine

A

149529-74-8

N-(α-methylbenzyl)pentylamine

B

1070-75-3

dilithium acetylide

Conditions
ConditionsYield
Stage #1: n-butyllithium; N-(1-phenylethyl)-N-(prop-2-yn-1-yl)amine at 20℃;
Stage #2: With methanol
A 80%
B n/a
188290-36-0

thiophene

56862-34-1

N-(1-phenylethyl)-N-(prop-2-yn-1-yl)amine

A

N,N'-(thiophene-2,5-diylbis(methylene))bis(α-methylbenzylamine)

B

1070-75-3

dilithium acetylide

Conditions
ConditionsYield
Stage #1: thiophene; N-(1-phenylethyl)-N-(prop-2-yn-1-yl)amine With lithium diisopropyl amide In diethyl ether at 0 - 20℃;
Stage #2: With methanol
A 78%
B n/a
554-14-3

2-Methylthiophene

56862-34-1

N-(1-phenylethyl)-N-(prop-2-yn-1-yl)amine

A

N-(α-methylbenzyl)(5-methylthiophen-2-yl)methylamine

B

1070-75-3

dilithium acetylide

Conditions
ConditionsYield
Stage #1: 2-Methylthiophene; N-(1-phenylethyl)-N-(prop-2-yn-1-yl)amine With lithium diisopropyl amide In diethyl ether at 0 - 20℃;
Stage #2: With methanol
A 77%
B n/a
109-72-8, 29786-93-4

n-butyllithium

N-(α-methylbenzyl)-3-(trimethylsilyl)-2-propynylamine

A

149529-74-8

N-(α-methylbenzyl)pentylamine

B

1070-75-3

dilithium acetylide

Conditions
ConditionsYield
Stage #1: n-butyllithium; N-(α-methylbenzyl)-3-(trimethylsilyl)-2-propynylamine at 20℃;
Stage #2: With methanol
A 71%
B n/a
109-72-8, 29786-93-4

n-butyllithium

18292-76-7

N-(prop-2-yn-1-yl)cyclohexanamine

A

35152-42-2

N,N-cyclohexyl-n-pentylamine

B

1070-75-3

dilithium acetylide

Conditions
ConditionsYield
Stage #1: n-butyllithium; N-(prop-2-yn-1-yl)cyclohexanamine at 20℃;
Stage #2: With methanol
A 70%
B n/a
56-23-5

tetrachloromethane

7439-93-2

lithium

A

CLi4

B

38827-81-5

ethenetetrayl-tetrakis-lithium

C

1070-75-3

dilithium acetylide

Conditions
ConditionsYield
In neat (no solvent) reaction of an excess of gaseous Li with gaseous CCl4 at 800-1000°C (high vac.);;A 10-18
B 61%
C 20%
56862-34-1

N-(1-phenylethyl)-N-(prop-2-yn-1-yl)amine

A

N,N'-(furan-2,5-diylbis(methylene))bis(α-methylbenzylamine)

B

1070-75-3

dilithium acetylide

Conditions
ConditionsYield
Stage #1: furan; N-(1-phenylethyl)-N-(prop-2-yn-1-yl)amine With lithium diisopropyl amide In diethyl ether at 0 - 20℃;
Stage #2: With methanol
A 58%
B n/a
56862-34-1

N-(1-phenylethyl)-N-(prop-2-yn-1-yl)amine

594-19-4

tert.-butyl lithium

A

N-(α-methylbenzyl)-2,2-dimethylpropylamine

B

1070-75-3

dilithium acetylide

Conditions
ConditionsYield
Stage #1: N-(1-phenylethyl)-N-(prop-2-yn-1-yl)amine; tert.-butyl lithium at 20℃;
Stage #2: With methanol
A 50%
B n/a
56862-34-1

N-(1-phenylethyl)-N-(prop-2-yn-1-yl)amine

591-51-5

phenyllithium

B

1070-75-3

dilithium acetylide

Conditions
ConditionsYield
Stage #1: N-(1-phenylethyl)-N-(prop-2-yn-1-yl)amine; phenyllithium at 20℃;
Stage #2: With methanol
A 39%
B n/a
2786-07-4

2-thienyl lithium

56862-34-1

N-(1-phenylethyl)-N-(prop-2-yn-1-yl)amine

A

(RS)-N-(thiophen-2-ylmethyl)-N-(α-methylbenzyl)amine

B

1070-75-3

dilithium acetylide

Conditions
ConditionsYield
Stage #1: 2-thienyl lithium; N-(1-phenylethyl)-N-(prop-2-yn-1-yl)amine at 20℃;
Stage #2: With methanol
A 38%
B n/a
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Chemistry

IUPAC:  Dilithium acetylide
 Lithium acetylide with CAS NO.of 1070-75-3 is also called for EINECS 213-980-1 ; CID66115 ; 1070-75-3 ; 1,2-Dilithioacetylene ; Dilithioacetylene ; Ethyne-1,2-diylbislithium ; Ethynylenebislithium and so on.
CAS: 1070-75-3
Molecular Formula: C2Li2
Molecular Weight: 37.9034
EINECS: 213-980-1
ACD/LogP: 0.37
ACD/LogD (pH 5.5): 0.37 
ACD/LogD (pH 7.4): 0.37 
ACD/BCF (pH 5.5): 1.13 
ACD/BCF (pH 7.4): 1.13 
ACD/KOC (pH 5.5): 37.87 
ACD/KOC (pH 7.4): 37.87 
H bond acceptors: 0 
H bond donors: 0 
Freely Rotating Bonds: 0 
Heavy Atom Count: 4
Formal Charge: 0
Complexity: 12
Isotope Atom Count: 0
Defined Atom StereoCenter Count: 0
Undefined Atom StereoCenter Count: 0
Defined Bond StereoCenter Count: 0
Undefined Bond StereoCenter Count: 0
Covalently-Bonded Unit Count: 3
Enthalpy of Vaporization: 21.12 kJ/mol 
Vapour Pressure: 69700 mmHg at 25°C
Density: 1.3 g/cm3
Melting Point: > 550°C
The molecular structure of  Lithium acetylide with CAS NO.of  1070-75-3:

Uses

 Lithium acetylide (CAS NO.1070-75-3) can be used in radiocarbon dating.

Production

 Lithium acetylide (CAS NO.1070-75-3) can be prepared from the following two ways:
1.molten lithium + graphite are reacted at high temperature
2.carbon dioxide + molten lithium

Safety Profile

Ignites and burns vigorously in fluorine, chlorine, phosphorus, selenium, or sulfur vapors. Ignites when heated in bromine or iodine vapors. When heated to decomposition it emits acrid smoke and fumes. See also LITHIUM COMPOUNDS and ACETYLIDES.

Specification

 Lithium acetylide with CAS NO.of 1070-75-3 is an ionic salt, it will transform reversibly to a cubic anti-fluorite structure at high temperatures.