CAS 105-13-5|P-methoxybenzyl alcohol|(4-methoxyphenyl)methanol|(4-methoxyphenyl)methanol|ANISYL ALCOHOL|4-Methoxybenzyl alcohol 98%|Anis alcohol|p-Anisyl alcohol|Anise alcohol|p-ANISYL ALCOHOL|对甲氧...

基本信息

化学结构

分子式

C₈H₁₀O₂

分子量

138.1638

精确质量

138.06807956

电荷

InChI

InChI=1S/C8H10O2/c1-10-8-4-2-7(6-9)3-5-8/h2-5,9H,6H2,1H3

InChIKey

MSHFRERJPWKJFX-UHFFFAOYSA-N

Canonic Smiles

OCc1ccc(cc1)OC

Isomeric Smiles

O(c1ccc(cc1)CO)C

计算属性

JChem

Acid pKa

15.022862

质子受体

质子供体

LogD (pH = 5.5)

1.0482248

LogD (pH = 7.4)

1.0482248

Log P

1.0482248

摩尔折射率

39.3371

极化性

15.297958

极化表面积

29.46

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

IUPAC传统名

P-methoxybenzyl alcohol

别名

(4-methoxyphenyl)methanolANISYL ALCOHOL4-Methoxybenzyl alcohol 98%Anis alcoholp-Anisyl alcoholAnise alcoholp-ANISYL ALCOHOL对甲氧基苄醇对茴香醇Anisyl alcohol对甲氧基苄醇茴香醇4-甲氧基苄醇4-甲氧基苄醇4-Methoxybenzyl alcohol4-Methoxybenzyl alcohol4-Methoxyphenylmethanol

IUPAC标准名

(4-methoxyphenyl)methanol

名称和标识

数据登录号

PubChem SID

24900859249008602488357816204312924848301

Beilstein号

FEMA编号

CAS号

Flavis Number

EC号

MDL号

欧洲委员会编号

PubChem CID

7738

默克索引号

14604

数据登录号

化合物性质

药理学性质

过敏源

no known allergens

化合物性质

分子相关蛋白质

暂无数据

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分子图谱

暂无数据

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描述信息

MP Biomedicals

02150381

Used for preparation of p-methoxy-benzyl-protected amino acids

05210707

MP Biomedicals Rare Chemical collection

Sigma Aldrich

136905

包装
5, 100, 500 g in glass bottle

W209910

General description
天然存在：茴香、蜂蜜、天竺葵、香草。
包装
1 kg in glass bottle
1 sample in glass bottle
100 g in glass bottle
5 kg in poly drum

W209902

包装
1 kg in glass bottle
10kg 密闭塑料桶包装；样品，1kg 玻璃瓶包装
1 sample in glass bottle
10, 25 kg in poly drum

64840

Other Notes
可以临时保护碳水化合物中的异头 OH 基团1

描述信息

参考文献

PubChem文献

数据源提供

• Carboxyl protection agent giving the 4-methoxybenzyl (PMB; 4-methoxyphenylmethyl; MPM) ester, e.g. by reaction with the 4-nitrophenyl ester. The group is stable to 0.5N HCl in MeOH which readily cleaves Boc groups, but can be removed by TFA, leaving Cbz-groups unaffected: Austr. J. Chem., 21, 2543 (1968). For cleavage using AcOH at 90^o, see: Synth. Commun., 24, 1151 (1994). For cleavage with Cerium(III) chloride heptahydrate, A12947, in the presence of NaI, see: J. Org. Chem., 64, 5696 (1999). See Appendix 6.

• Has also been used, in the presence of TFA, to protect thiols: Tetrahedron Lett., 35, 1631 (1994). Cleavage is by refluxing with TFA: Bull. Chem. Soc. Jpn., 37, 433 (1964); Bioorg. Chem. Med. Lett., 3, 739 (1993), or Hg(II) salts: Chem. Pharm. Bull., 26, 1576 (1978); J. Med. Chem., 31, 2199 (1988); J. Org. Chem., 52, 4420 (1987).

参考文献

生物活性

PubChem BioAssay

生物活性