[ CAS No. 2497-18-9 ]

Name: 2497-18-9|trans-2-Hexenyl acetate|98%
Brand: Ambeed
SKU: A181037
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Inaccessible (Haz class 6.1), International	USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic	USD 100+
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Quality Control of [ 2497-18-9 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 2497-18-9 ]

SDS Specification

Alternatived Products of [ 2497-18-9 ]

Product Details of [ 2497-18-9 ]

CAS No. :	2497-18-9	MDL No. :	MFCD00009474
Formula :	C₈H₁₄O₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	HRHOWZHRCRZVCU-AATRIKPKSA-N
M.W :	142.20	Pubchem ID :	2733294
Synonyms :

Calculated chemistry of [ 2497-18-9 ]

Physicochemical Properties

Num. heavy atoms :	10
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.62
Num. rotatable bonds :	5
Num. H-bond acceptors :	2.0
Num. H-bond donors :	0.0
Molar Refractivity :	41.38
TPSA :	26.3 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-5.77 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.58
Log Po/w (XLOGP3) :	1.97
Log Po/w (WLOGP) :	1.91
Log Po/w (MLOGP) :	1.85
Log Po/w (SILICOS-IT) :	1.74
Consensus Log Po/w :	2.01

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-1.63
Solubility :	3.31 mg/ml ; 0.0233 mol/l
Class :	Very soluble
Log S (Ali) :	-2.15
Solubility :	1.01 mg/ml ; 0.00712 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-1.62
Solubility :	3.4 mg/ml ; 0.0239 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.3

Safety of [ 2497-18-9 ]

Signal Word:	Danger	Class:	3
Precautionary Statements:	P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501	UN#:	3272
Hazard Statements:	H225-H315-H319	Packing Group:	Ⅲ
GHS Pictogram:

Application In Synthesis of [ 2497-18-9 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Downstream synthetic route of [ 2497-18-9 ]

[ 2497-18-9 ] Synthesis Path-Downstream 1~68

1
[ 34686-76-5 ]
[ 2497-18-9 ]

Reference： [1]Bulletin de la Societe Chimique de France,1933,vol. <4>53,p. 314

2
[ 928-95-0 ]
[ 75-36-5 ]
[ 2497-18-9 ]

Reference： [1]Tetrahedron,1994,vol. 50,p. 217 - 254
[2]Hoppe-Seyler's Zeitschrift fur Physiologische Chemie,1957,vol. 308,p. 277,282

3
[ 35926-04-6 ]
[ 2497-18-9 ]
[ 56922-75-9 ]

Reference： [1]Synthesis,1986,p. 125 - 128

4
[ 2497-18-9 ]
[ 1001-73-6 ]
[ 131859-16-0 ]
[ 129499-62-3 ]

Reference： [1]Tetrahedron Letters,1990,vol. 31,p. 5771 - 5772

5
[ 2497-18-9 ]
[ 201230-82-2 ]
[ 4515-80-4 ]
[ 140870-84-4 ]

Reference： [1]Journal of Organometallic Chemistry,1992,vol. 425,p. 41 - 48

6
[ 2497-18-9 ]
[ 201230-82-2 ]
[ 18006-13-8 ]
[ 140870-84-4 ]

Reference： [1]Journal of Organometallic Chemistry,1992,vol. 425,p. 41 - 48

7
[ 2497-18-9 ]
[ 51779-32-9 ]
[ 115270-05-8 ]
[ 115270-04-7 ]
[ 115270-06-9 ]

Reference： [1]Journal of Organic Chemistry,1988,vol. 53,p. 3845 - 3849
[2]Journal of Organic Chemistry,1988,vol. 53,p. 3845 - 3849
[3]Journal of Organic Chemistry,1988,vol. 53,p. 3845 - 3849

8
[ 2497-18-9 ]
[ 1666-13-3 ]
[ 90036-65-0 ]

Reference： [1]Chemistry Letters,1990,p. 927 - 930

9
[ 2497-18-9 ]
[ 824-79-3 ]
1-[((E)-Hept-3-ene)-1-sulfonyl]-4-methyl-benzene [ No CAS ]
1-((S)-Hept-1-ene-4-sulfonyl)-4-methyl-benzene [ No CAS ]
1-((R)-Hept-1-ene-4-sulfonyl)-4-methyl-benzene [ No CAS ]

Reference： [1]Chemical and pharmaceutical bulletin,1988,vol. 36,p. 1744 - 1749
[2]Chemical and pharmaceutical bulletin,1988,vol. 36,p. 1744 - 1749

10
[ 2497-18-9 ]
[ 824-79-3 ]
[ 90633-60-6 ]
[ 89268-72-4 ]

Reference： [1]Chemistry Letters,1986,p. 617 - 620
[2]Chemistry Letters,1986,p. 617 - 620

11
[ 2497-18-9 ]
[ 5764-82-9 ]
[ 109756-11-8 ]
[ 138234-61-4 ]

Reference： [1]Tetrahedron Letters,1986,vol. 27,p. 4223 - 4226

12
[ 2497-18-9 ]
[ 109756-09-4 ]
[ 81949-65-7 ]
[ 109756-16-3 ]

Reference： [1]Tetrahedron Letters,1986,vol. 27,p. 4223 - 4226

13
[ 2497-18-9 ]
[ 92315-15-6 ]

Reference： [1]Synthesis,1986,p. 125 - 128
[2]Journal of Organic Chemistry,2012,vol. 77,p. 4706 - 4710

14
[ 127-09-3 ]
[ 118653-96-6 ]
[ 2497-18-9 ]
[ 56922-75-9 ]

Reference： [1]Synthesis,1988,p. 58 - 60

15
[ 92315-15-6 ]
[ 35926-04-6 ]
[ 2497-18-9 ]
[ 56922-75-9 ]

Reference： [1]Synthesis,1986,p. 125 - 128
[2]Synthesis,1986,p. 125 - 128
[3]Synthesis,1986,p. 125 - 128

16
[ 928-95-0 ]
[ 108-24-7 ]
[ 2497-18-9 ]

Reference： [1]Tetrahedron Letters,2004,vol. 45,p. 825 - 829
[2]Chemistry - A European Journal,2015,vol. 21,p. 7030 - 7034
[3]Journal of the American Chemical Society,2007,vol. 129,p. 14172 - 14173
[4]Journal of Organic Chemistry,2013,vol. 78,p. 1559 - 1575
[5]Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry,1983,vol. 22,p. 919 - 920
[6]Angewandte Chemie - International Edition,2008,vol. 47,p. 1928 - 1931
[7]Organic Letters,2012,vol. 14,p. 1416 - 1419

17
[ 4798-44-1 ]
[ 108-24-7 ]
[ 35926-04-6 ]
[ 2497-18-9 ]
[ 56922-75-9 ]

Reference： [1]Synthesis,1986,p. 125 - 128

18
[ 2497-18-9 ]
[ 525-06-4 ]
1,1-diphenyl-1,3-heptadiene [ No CAS ]
[ 632-51-9 ]

Reference： [1]Journal of the Chemical Society. Chemical communications,1986,p. 1539 - 1540

19
[ 2497-18-9 ]
[ 525-06-4 ]
1,1-diphenyl-1,3-heptadiene [ No CAS ]

Reference： [1]Journal of Organic Chemistry,1987,vol. 52,p. 1695 - 1699

20
[ 2497-18-9 ]
[ 108-59-8 ]
[ 81586-82-5 ]
[ 77517-66-9 ]

Reference： [1]Tetrahedron Letters,1980,vol. 21,p. 4437 - 4440
[2]Angewandte Chemie - International Edition in English,1997,vol. 36,p. 263 - 265
[3]Synthesis,2001,p. 2320 - 2326

21
[ 56922-75-9 ]
[ 2497-18-9 ]

Reference： [1]Journal of the Chemical Society. Chemical communications,1995,p. 271 - 274

22
[ 2497-18-9 ]
[ 1889-20-9 ]
[ 35648-55-6 ]

Reference： [1]Chemistry - A European Journal,1995,vol. 1,p. 351 - 359

23
[ 108-05-4 ]
[ 928-95-0 ]
[ 2497-18-9 ]

Reference： [1]Journal of Organic Chemistry,1996,vol. 61,p. 3088 - 3092

24
[ 2497-18-9 ]
[ 131543-46-9 ]
[ 4417-81-6 ]
[ 5371-49-3 ]
[ 75-07-0 ]
[ 123-38-6 ]
[ 123-72-8 ]

Reference： [1]International Journal of Chemical Kinetics,1996,vol. 28,p. 373 - 382

25
[ 2497-18-9 ]
[ 141-97-9 ]
2-Acetyl-3-vinyl-hexanoic acid ethyl ester [ No CAS ]
ethyl 2-acetyl-4-octenoate [ No CAS ]

Reference： [1]Angewandte Chemie - International Edition in English,1997,vol. 36,p. 263 - 265

26
[ 2497-18-9 ]
[ 105-53-3 ]
[ 79930-09-9 ]
2-(1-Vinyl-butyl)-malonic acid diethyl ester [ No CAS ]

Reference： [1]Angewandte Chemie - International Edition in English,1997,vol. 36,p. 263 - 265
[2]Angewandte Chemie - International Edition in English,1997,vol. 36,p. 263 - 265

27
[ 2497-18-9 ]
ethyl 2-(bromozincato)prop-2-enoate [ No CAS ]
(E)-2-Methylene-oct-4-enoic acid ethyl ester [ No CAS ]

Reference： [1]Bulletin de la Societe Chimique de France,1997,vol. 134,p. 995 - 1000

28
[ 2497-18-9 ]
propyl 2-(bromozincato)prop-2-enoate [ No CAS ]
2-Cyclohex-2-enyl-acrylic acid propyl ester [ No CAS ]

Reference： [1]Bulletin de la Societe Chimique de France,1997,vol. 134,p. 995 - 1000

29
[ 2497-18-9 ]
[ 96-32-2 ]
[ 81586-83-6 ]
[ 210644-34-1 ]

Reference： [1]Bulletin de la Societe Chimique de France,1997,vol. 134,p. 995 - 1000

30
[ 928-95-0 ]
[ 19689-92-0 ]
[ 2497-18-9 ]

Reference： [1]Journal of Organic Chemistry,1997,vol. 62,p. 8141 - 8144

31
[ 2497-18-9 ]
(S)-2-Trimethylsilanyloxymethyl-pyrrolidine [ No CAS ]
[ 211762-87-7 ]

Reference： [1]Tetrahedron Asymmetry,1998,vol. 9,p. 1995 - 2009

32
[ 2497-18-9 ]
[ 141-97-9 ]
2-Acetyl-3-vinyl-hexanoic acid ethyl ester [ No CAS ]
ethyl 2-acetyl-4-octenoate [ No CAS ]
(Z)-2-Acetyl-oct-4-enoic acid ethyl ester [ No CAS ]

Reference： [1]Journal of the American Chemical Society,1998,vol. 120,p. 8647 - 8655

33
[ 2497-18-9 ]
[ 609-08-5 ]
2-Methyl-2-(1-vinyl-butyl)-malonic acid diethyl ester [ No CAS ]
2-((Z)-Hex-2-enyl)-2-methyl-malonic acid diethyl ester [ No CAS ]
2-((E)-Hex-2-enyl)-2-methyl-malonic acid diethyl ester [ No CAS ]

Reference： [1]Journal of the American Chemical Society,1998,vol. 120,p. 8647 - 8655

34
[ 2497-18-9 ]
[ 108-59-8 ]
[ 81586-82-5 ]
[ 77517-66-9 ]
(Z)-2-hex-2-enyl-malonic acid dimethyl ester [ No CAS ]

Reference： [1]Journal of the American Chemical Society,1998,vol. 120,p. 8647 - 8655

35
[ 2497-18-9 ]
[ 105-53-3 ]
[ 79930-09-9 ]
2-(1-Vinyl-butyl)-malonic acid diethyl ester [ No CAS ]
((Z)-2-Hex-2-enyl)-malonic acid diethyl ester [ No CAS ]

Reference： [1]Journal of the American Chemical Society,1998,vol. 120,p. 8647 - 8655

36
[ 928-94-9 ]
[ 108-24-7 ]
[ 2497-18-9 ]
[ 56922-75-9 ]

Reference： [1]Journal of the Chemical Society. Perkin transactions I,1999,p. 979 - 993

37
[ 928-95-0 ]
[ 108-24-7 ]
[ 2497-18-9 ]
[ 56922-75-9 ]

Reference： [1]Journal of the Chemical Society. Perkin transactions I,1999,p. 979 - 993

38
[ 2497-18-9 ]
[ 98432-01-0 ]
[ 223561-07-7 ]
(E)-(S)-2-Acetyl-2-acetylamino-oct-4-enoic acid methyl ester [ No CAS ]

Reference： [1]Journal of the American Chemical Society,1999,vol. 121,p. 3236 - 3237

39
[ 2497-18-9 ]
[ 19185-44-5 ]
(E)-(S)-2-Acetylamino-2-benzoyl-oct-4-enoic acid methyl ester [ No CAS ]
(E)-(R)-2-Acetylamino-2-benzoyl-oct-4-enoic acid methyl ester [ No CAS ]

Reference： [1]Journal of the American Chemical Society,1999,vol. 121,p. 3236 - 3237

40
[ 2497-18-9 ]
[ 98-80-6 ]
[ 78633-32-6 ]
[ 78633-31-5 ]

Reference： [1]Journal of the Chemical Society. Perkin Transactions 1 (2001),2000,p. 15 - 18

42
[ 498-66-8 ]
[ 2497-18-9 ]
(1S,2R,3S,5S,6R)-((E)-3-But-1-enyl)-tricyclo[4.2.1.0^2,5]nonane [ No CAS ]

Reference： [1]Tetrahedron Letters,2000,vol. 41,p. 4181 - 4184

43
[ 2497-18-9 ]
[ 6742-26-3 ]
2-((E)-Hex-2-enyl)-1-oxo-1,2,3,4-tetrahydro-naphthalene-2-carboxylic acid ethyl ester [ No CAS ]

Reference： [1]Tetrahedron Letters,2000,vol. 41,p. 6115 - 6119

44
[ 123-75-1 ]
[ 2497-18-9 ]
N-(1-propyl-2-propenyl)pyrrolidine [ No CAS ]
E-1-(2-hexenyl)pyrrolidine [ No CAS ]

Reference： [1]Tetrahedron Letters,2001,vol. 42,p. 2313 - 2315
[2]Synthesis,2001,p. 2320 - 2326
[3]Tetrahedron,2005,vol. 61,p. 9759 - 9766
[4]Chemical Communications,2001,p. 43 - 44

45
[ 110-91-8 ]
[ 2497-18-9 ]
3-(1-hexenyl)morpholine [ No CAS ]
[ 84395-62-0 ]

Reference： [1]Tetrahedron,2005,vol. 61,p. 9759 - 9766
[2]Chemical Communications,2001,p. 43 - 44

46
[ 110-91-8 ]
[ 2497-18-9 ]
[ 84395-62-0 ]

Reference： [1]Tetrahedron Letters,2001,vol. 42,p. 2313 - 2315
[2]Synthesis,2001,p. 2320 - 2326

47
[ 2497-18-9 ]
[ 1120-48-5 ]
((E)-Hex-2-enyl)-dioctyl-amine [ No CAS ]

Reference： [1]Tetrahedron Letters,2001,vol. 42,p. 2313 - 2315
[2]Synthesis,2001,p. 2320 - 2326
[3]Chemical Communications,2001,p. 43 - 44
[4]Tetrahedron,2005,vol. 61,p. 9759 - 9766

48
[ 2497-18-9 ]
[ 18424-77-6 ]
2-Methyl-2-(1-vinyl-butyl)-malonic acid diethyl ester [ No CAS ]
2-((Z)-Hex-2-enyl)-2-methyl-malonic acid diethyl ester [ No CAS ]
2-((E)-Hex-2-enyl)-2-methyl-malonic acid diethyl ester [ No CAS ]

Reference： [1]European Journal of Inorganic Chemistry,2001,p. 837 - 843

49
[ 2497-18-9 ]
[ 108-91-8 ]
Cyclohexyl-((E)-hex-2-enyl)-amine [ No CAS ]
Cyclohexyl-bis-((E)-hex-2-enyl)-amine [ No CAS ]

Reference： [1]Tetrahedron Letters,2001,vol. 42,p. 2313 - 2315

50
[ 2497-18-9 ]
[ 142-84-7 ]
((E)-Hex-2-enyl)-dipropyl-amine [ No CAS ]

Reference： [1]Synthesis,2001,p. 2320 - 2326
[2]Chemical Communications,2001,p. 43 - 44
[3]Tetrahedron Letters,2001,vol. 42,p. 2313 - 2315

51
[ 2497-18-9 ]
[ 109-89-7 ]
[ 103896-64-6 ]

Reference： [1]Chemical Communications,2001,p. 43 - 44
[2]Tetrahedron,2005,vol. 61,p. 9759 - 9766

52
[ 2497-18-9 ]
[ 124-02-7 ]
Diallyl-((E)-hex-2-enyl)-amine [ No CAS ]

Reference： [1]Tetrahedron Letters,2001,vol. 42,p. 2313 - 2315
[2]Synthesis,2001,p. 2320 - 2326

53
[ 68883-76-1 ]
[ 2497-18-9 ]
[ 26907-85-7 ]
(E,E)-6,10-tetradecadiene [ No CAS ]
(E,E)-6,10-hexadecadiene [ No CAS ]

Reference： [1]Chemistry - A European Journal,2001,vol. 7,p. 1981 - 1989

54
[ 2497-18-9 ]
[ 31469-25-7 ]
cis-2,2-dimethyl-oct-4-enoic acid [ No CAS ]
trans-2,2-dimethyl-oct-4-enoic acid [ No CAS ]