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Merck
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文件

686271

Sigma-Aldrich

(S)-1-(4-氯苯基)乙醇

95%

别名:

(S)-1-(4-Chlorophenyl)ethanol, (S)-4′-氯-1-苯基乙醇

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About This Item

线性分子式:
ClC6H4CH(CH3)OH
CAS号:
99528-42-4
分子量:
156.61
MDL號碼:
MFCD06797296
分類程式碼代碼:
12352101
PubChem物質ID:
329761034
NACRES:
NA.22

化驗

95%

形狀

liquid

光學活性

[α]20/D -48.0°, c = 1 in chloroform

折射率

n20/D 1.544

密度

1.175 g/mL at 25 °C

SMILES 字串

C[C@H](O)c1ccc(Cl)cc1

InChI

1S/C8H9ClO/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,1H3/t6-/m0/s1

InChI 密鑰

MVOSNPUNXINWAD-LURJTMIESA-N

相关类别

應用

(S)-4-Chloro-α-methylbenzyl alcohol can be used as a chiral building block in:
  • The enantioselective synthesis of (-)-(S,S)-clemastine.
  • The enantioselective and geometrically defined synthesis of chloro methylbenzyl pinacol boronic ester via lithiation−borylation methodology.

象形圖

Exclamation mark
GHS07

訊號詞

Warning

危險分類

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

標靶器官

Respiratory system

儲存類別代碼

10 - Combustible liquids

水污染物質分類（WGK）

WGK 3

閃點（°F）

>230.0 °F

閃點（°C）

> 110 °C

個人防護裝備

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

分析证书(COA)

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Stereospecific conversion of alcohols into pinacol boronic esters using lithiation-borylation methodology with pinacolborane
Roesner S, et al.
Chemical Communications (Cambridge, England), 50(31), 4053-4055 (2014)
Anne M Fournier et al.
Organic letters, 12(10), 2222-2225 (2010-04-22)
The first enantioselective synthesis of the antihistamine agent clemastine, as its (S,S)-stereoisomer, has been achieved by ether formation between a proline-derived chloroethylpyrrolidine and an enantiomerically enriched tertiary alcohol. The tertiary alcohol was formed from the carbamate derivative of alpha-methyl-p-chlorobenzyl alcohol

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