CAS 529-34-0|alpha-Tetralone|1-Tetralone|tetralone|1,2,3,4-tetrahydronaphthalen-1-one|3,4-Dihydronaphthalen-1(2H)-one|α-四氢萘酮|3,4-二氢-1(2H)-萘酮|α-Tetralone|3,4-Dihydro-1(2H)-naphthalenone|α-...

基本信息

化学结构

分子式

C₁₀H₁₀O

分子量

146.1858

精确质量

146.07316494

电荷

InChI

InChI=1S/C10H10O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6H,3,5,7H2

InChIKey

XHLHPRDBBAGVEG-UHFFFAOYSA-N

Canonic Smiles

O=C1CCCc2c1cccc2

Isomeric Smiles

O=C1c2ccccc2CCC1

计算属性

JChem

Acid pKa

16.697168

质子受体

质子供体

LogD (pH = 5.5)

2.2811246

LogD (pH = 7.4)

2.2811246

Log P

2.2811246

摩尔折射率

44.3267

极化性

17.024166

极化表面积

17.07

可自由旋转的化学键

里宾斯基五规则

true

数据来源

名称和标识

别名

alpha-Tetralone1-Tetralone3,4-Dihydronaphthalen-1(2H)-oneα-四氢萘酮3,4-二氢-1(2H)-萘酮α-Tetralone3,4-Dihydro-1(2H)-naphthalenoneα-TetraloneTetralone1-四氢萘酮1,2,3,4-Tetrahydro-1-naphthalenone1-Tetralone

IUPAC传统名

tetralone

IUPAC标准名

1,2,3,4-tetrahydronaphthalen-1-one

名称和标识

数据登录号

CAS号

529-34-0

MDL号

MFCD00001688

PubChem SID

1620401102489999724888931

EC号

PubChem CID

Beilstein号

维基百科标题

数据登录号

化合物性质

产品相关信息

97%

≥96.0% (GC)

C10H10O

purum

药理学性质

human ... CYP2A6(1548)mouse ... Cyp2a5(13087)

化合物性质

分子相关蛋白质

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分子图谱

暂无数据

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描述信息

Wikipedia

Tetralone

Sigma Aldrich

T19003

包装
5, 100, 500 g in glass bottle

描述信息

参考文献

PubChem文献

数据源提供

• A convenient method for the direct ɑ-methylenation of ketones involving reaction with formaldehede, in the presence of N-Methylanilinium trifluoroacetate, A17781, is illustrated for this ketone: Org. Synth. Coll., 7, 332 (1990).

• The use of the selective reduction system in liquid ammonia is illustrated by the clean reduction of 1-tetralone to the alcohol without over-reduction to tetralin or reduction of the aromatic ring: J. Org. Chem., 61, 1493 (1996).

• Reacts with arenes under Friedel-Crafts conditions to give 6-aryl-1-tetralones: J. Org. Chem., 55, 4036 (1990).

参考文献

生物活性

PubChem BioAssay

生物活性