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名称

托品酸

别名

托品酸 | 2-苯基-3-羟基丙酸 | DL-托品酸 | α-羟甲基苯乙酸, 3-羟基-2-苯基丙酸 | 2-苯-3-羟丙酸

英文别名

英文名称

DL-Tropic Acid

货号

T101156-500g

包装规格

500g

浓度

≥98%

运输条件

常规运输

产品介绍

溶于醇和醚，实际上不溶于石油醚。产品用途： Tropic acid can be used as a substrate in: • Esterification of carboxylic acids and alcohols in the presence of dried Dowex H+/NaI catalyst system. • Multistep synthesis of cyclic pentadepsipeptides. • Synthesis of an isocoumarin derivative by reacting with tetracyanobenzene (TCNB) via multicomponent photo reaction. Tropic acid is used in the synthesis of (−)-anisodine, atropine and hyoscyamine. Product Introduction ： Soluble in alcohol and ether, practically insoluble in petroleum ether. Product Usage ： Tropic acid can be used as a substrate in: • Esterification of carboxylic acids and alcohols in the presence of dried Dowex H+/NaI catalyst system. • Multistep synthesis of cyclic pentadepsipeptides. • Synthesis of an isocoumarin derivative by reacting with tetracyanobenzene (TCNB) via multicomponent photo reaction. Tropic acid is used in the synthesis of (−)-anisodine, atropine and hyoscyamine.

CAS号

552-63-6

分子式

C9H10O3

分子量

166.17 g/mol

Beilstein号

2209199

EC号

208-465-3

MDL号

MFCD00004255

PubChem编号

10726

Isomeric SMILES

C1=CC=C(C=C1)C(CO)C(=O)O

IIUPAC Name

3-hydroxy-2-phenylpropanoic acid

INCHI

1S/C9H10O3/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)

InChi Key

JACRWUWPXAESPB-UHFFFAOYSA-N

Smiles

C1=CC=C(C=C1)C(CO)C(=O)O

关联CAS

529-64-6

PubChem SID

488181175

溶解性

Soluble in water (20 g/L) at 20°C, ethanol, ether, alcohol, and methanol (0.1 g/ml).

熔点

116-118°C

氢键供体数Hydrogen Bond Donor Count

氢键受体数Hydrogen Bond Acceptor Count

可旋转键计数Rotatable Bond Count

精确质量Exact Mass

166.063 Da

单同位素质量Monoisotopic Mass

166.063 Da

拓扑极表面积Topological Polar Surface Area

57.500 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

150.000

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

0.800

Reaxy-Rn

2209199

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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