1-(4-クロロベンズヒドリル)ピペラジン

Norchlorcyclizine

HCID 9340
ノート反応
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基本情報

CAS
303-26-4
標準SMILES
Clc1ccc(C(c2ccccc2)N2CCNCC2)cc1
InChIKey
UZKBSZSTDQSMDR-UHFFFAOYSA-N
分子式
C17H19ClN2
平均分子量
286.8 g/mol
単同位体質量
286.1236763

名称と識別子

優先名称
Norchlorcyclizine
IUPAC
1-[(4-chlorophenyl)-phenylmethyl]piperazine
現地名
1-(4-クロロベンズヒドリル)ピペラジン
英語名
1-(4-Chlorobenzhydryl)piperazine
分子式
C17H19ClN2
分子量
286.8

名称と別名

1-(4-Chlorobenzhydryl)piperazine303-26-4NorchlorcyclizineN-(p-Chlorobenzhydryl)piperazine4-(4-Chlorobenzhydryl)piperazineN-(4-Chlorobenzhydryl)piperazinePiperazine, 1-[(4-chlorophenyl)phenylmethyl]-Piperazine, 1-((4-chlorophenyl)phenylmethyl)-T875VN0D6E1-(4-Chloro-alpha-phenylbenzyl)piperazine1-(alpha-Phenyl-4-chlorobenzyl)piperazineNSC-86164
名称をさらに表示
1-(4-クロロベンズヒドリル)ピペラジン1-[(4-クロロフェニル)フェニルメチル]ピペラジン4-(α-ピペラジノベンジル)フェニルクロリドノルクロルシクリジン1-(4-クロロベンズヒドリル)ピペラジン 塩化物1-(4-クロロジフェニルメチル)ピペラジン1‐(4‐クロロベンズヒドリル)ピペラジン1-[(4-クロロフェニル)(フェニル)メチル]ピペラジン4-(α-フェニル-4-クロロベンジル)ピペラジンCetirizine EP Impurity AHydroxyzine Related CoMpound A1-[(4-CHLORO-PHENYL)-PHENYL-METHYL]-PIPERAZINENSC 8616USP CBHPNSC 86164UNII:T875VN0D6EAKOS BBS-00003606Cetirizine USP A
DTXSID00891490RefChem:854707DTXCID70220253206-137-41-((4-chlorophenyl)(phenyl)methyl)piperazine130018-88-11-[(4-Chlorophenyl)(phenyl)methyl]piperazine1-[(4-Chlorophenyl)phenylmethyl]piperazine

データベース識別子

CAS
303-26-4
PubChem CID
9340
DTXSID
DTXSID00891490
ChEMBL
CHEMBL81324
UNII
T875VN0D6E
EC Number
206-137-4
Nikkaji
J50.575G

物性

構造計算による物性

XLogP
3.4
極性表面積
15.3 Ų
水素結合供与体数
1
水素結合受容体数
2
回転可能結合数
3
重原子数
20

実験および物理化学的性質

Collision Cross Section168.4 Ų [M+H]+ [CCS Type: TW; Method: Major Mix IMS/Tof Calibration Kit (Waters)]

物理化学的性質

融点
65 · 65-70 °C (lit.)
沸点
178 · 178-180 °C/0.5 mmHg (lit.)
比重(密度)
1.0912 · 1.0912 (rough estimate)
蒸気圧
0 Pa · 0Pa at 25℃
屈折率
1.5749 · 1.5749 (estimate)
闪点
230 °F · >230 °F

化学的性質

化学的特性White Solid

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (94.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (92.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (89.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H361 (19.6%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]

P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 56 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory InformationStatus: Cease Manufacture Update: 19-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21468；Status: Active Update: 20-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23014
Hazard Classes and CategoriesAcute Tox. 4 (25%)；Skin Irrit. 2 (94.6%)；Eye Irrit. 2 (92.9%)；STOT SE 3 (89.3%)；Repr. 2 (19.6%)

法規制情報

Regulatory InformationStatus: Cease Manufacture Update: 19-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21468；Status: Active Update: 20-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23014

安全データ

wgk
3
rtecs
TL1772000
hs_code
29339900
risk_code
36/37/38
hazard_code
Xi
hazard_note
Irritant

化学と産業

用途と製造

Use ClassificationPharmaceuticals -> Transformation products

応用分野

用途有機合成原料。

調製方法 · 1 件

製造方法Preparation of 1-[(4-chlorophenyl)phenylmethyl]piperazine. (CPMP)About 0.5 mL of DMF, 0.1 g of KI and 10 g (0.12 mol) of piperazine were mixed with 15 mL of toluene and heated to 80oC for 0.5 h. This mixture at 80oC was mixed with 4-CBC in toluene and the temperature was maintained at 80oC for a period of 2 h followed by refluxing at the same temperature for 12h. The reaction mixture was then cooled to 20oC. The toluene layer was washed twice with 20 mL of water and treated with HCl (15 mL conc. HCl in 5mL of water) at 5-10oC. The reaction mixture was filtered and the aqueous layer was separated from the filtrate. About 10 mL of toluene and 10 mL of methylene dichloride (MDC) washes were given to the aqueous layer and neutralized with 22 mL of 30 % NaOH solution at 10oC and maintained at 20oC for 2h. The solid compound formed was filtered, sucked and dried at 50oC for 3 h.Yield: 92 %; m.p: 63-65oC.

上流・下流製品情報

サプライヤー100 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
天津始加生物医药科技有限公司15022261580 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
上海泰矶林实业有限公司02150630626 17717886015 · [email protected]

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