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35835-94-0

Basic Information
CAS No.: 35835-94-0
Name: Ethyltriphenylphosphonium acetate
Article Data: 1
Molecular Structure:
Molecular Structure of 35835-94-0 (Ethyltriphenylphosphonium acetate)
Formula: C20H20P.C2H3O2
Molecular Weight: 350.397
Synonyms: Phosphonium, ethyltriphenyl-, acetate;
EINECS: 252-743-7
Density: 1.05
Melting Point: 163?°C (dec.)(lit.)
Boiling Point: 63oC
Flash Point: -17°(0°F)
Solubility: Soluble in water, alcohol.
Appearance: White to almost white solid
Hazard Symbols: T,F
Risk Codes: R11
Transport Information: UN 1993
PSA: 53.72000
LogP: 2.75660
Synthetic route
127-08-2

potassium acetate

896-33-3

ethyltriphenylphosphonium chloride

35835-94-0

ethyltriphenylphosphonium acetate

Conditions
ConditionsYield
In ethanol at 20℃; for 16.33h; Schlenk technique; Inert atmosphere;94%
12093-10-6

ferrocenecarboxaldehyde

35835-94-0

ethyltriphenylphosphonium acetate

A

trans-1-ferrocenyl-1-propene

B

(Z)-1-prop-1-enylferrocene

Conditions
ConditionsYield
In tetrahydrofuran at 50℃; for 24h; Wittig Olefination; Schlenk technique; Inert atmosphere; Overall yield = 66 percent; Overall yield = 30 mg;A n/a
B n/a
35835-94-0

ethyltriphenylphosphonium acetate

6630-33-7

ortho-bromobenzaldehyde

A

70968-46-6, 74532-86-8, 70913-21-2

(Z)-1-bromo-2-(2-methylethenyl)benzene

B

70913-21-2, 74532-86-8, 70968-46-6

(E)-1-bromo-2-(2-methylethenyl)benzene

Conditions
ConditionsYield
In tetrahydrofuran at 40℃; for 24h; Wittig Olefination; Schlenk technique; Inert atmosphere; Overall yield = 79 percent; Overall yield = 31 mg;A n/a
B n/a
35835-94-0

ethyltriphenylphosphonium acetate

552-89-6

2-nitro-benzaldehyde

A

4036-19-5

(E)-1-nitro-2-(prop-1-en-1-yl)benzene

B

1-nitro-2-(prop-1-en-1-yl)benzene

Conditions
ConditionsYield
In tetrahydrofuran at 40℃; for 24h; Wittig Olefination; Schlenk technique; Inert atmosphere; Overall yield = 88 percent; Overall yield = 27 mg;A n/a
B n/a
1121-60-4

pyridine-2-carbaldehyde

35835-94-0

ethyltriphenylphosphonium acetate

A

54238-00-5

Z-1-(2-pyridinyl)-1-propene

B

52248-74-5

(E)-2-(prop-1-en-1-yl)pyridine

Conditions
ConditionsYield
In tetrahydrofuran at 50℃; for 24h; Wittig Olefination; Schlenk technique; Inert atmosphere; Overall yield = 72 percent; Overall yield = 17 mg;
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Specification

This chemical is called Phosphonium, ethyltriphenyl-, acetate (1:1), and its CAS registry number is 35835-94-0. With the molecular formula of C20H20P.C2H3O2, its molecular weight is 350.39. In addition, this chemical should be sealed in the cool and dry place.

Other characteristics of the Phosphonium, ethyltriphenyl-, acetate (1:1) can be summarised as followings: (1)H-Bond Donor: 0; (2)H-Bond Acceptor: 2; (3)Rotatable Bond Count: 4; (4)Exact Mass: 350.143566; (5)MonoIsotopic Mass: 350.143566; (6)Topological Polar Surface Area: 40.1; (7)Heavy Atom Count: 25; (8)Formal Charge: 0; (9)Complexity: 273; (10)Isotope Atom Count 0; (11)Covalently-Bonded Unit Count: 2.

You can still convert the following datas into molecular structure:
1.SMILES: [O-]C(=O)C.c1ccccc1[P+](c2ccccc2)(c3ccccc3)CC
2.InChI: InChI=1/C20H20P.C2H4O2/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;1-2(3)4/h3-17H,2H2,1H3;1H3,(H,3,4)/q+1;/p-1
3.InChIKey: HZZUMXSLPJFMCB-REWHXWOFAO