O-알릴-N-(9-안트라세닐메틸)신코니디늄브로마이드

O-Allyl-N-(9-anthracenylmethyl)cinchonidinium bromide

HCID 10886583

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 200132-54-3
표준 SMILES: C=CCO[C@H](c1ccnc2ccccc12)[C@@H]1C[C@@H]2CC[N+]1(Cc1c3ccccc3cc3ccccc13)C[C@@H]2C=C.[Br-]
InChIKey: QOWNPAUSLGATNL-JNKXQCINSA-M
분자식: C37H37BrN2O
평균 분자량: 605.6 g/mol
단동위원소 질량: 604.20893

이름 및 식별자

우선 이름: O-Allyl-N-(9-anthracenylmethyl)cinchonidinium bromide
IUPAC: 4-[(R)-[(2S,4S,5R)-1-(anthracen-9-ylmethyl)-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-prop-2-enoxymethyl]quinoline bromide
현지명: O-알릴-N-(9-안트라세닐메틸)신코니디늄브로마이드
영어명: O-Allyl-N-(9-anthracenylmethyl)cinchonidinium bromide
분자식: C37H37BrN2O
분자량: 605.61

이름 및 동의어

O-Allyl-N-(9-anthracenylmethyl)cinchonidinium bromideRefChem:855189606-421-1200132-54-3MFCD01632446O-Allyl-N-[(9-anthracenyl)methyl]cinchonidium bromideo-allyl-n-(9-anthracenylmethyl)-cinchonidinium bromideC37H37BrN2OSCHEMBL2000663SCHEMBL29542732QOWNPAUSLGATNL-JNKXQCINSA-M(-)-O-(9)-Allyl-N-(9-anthracenylmethyl) cinchonidiniumbromide

이름 더 보기

O-알릴-N-(9-안트라세닐메틸)신코니디늄브로마이드(1S,2S,4S,5R)-2-((R)-(allyloxy)(quinolin-4-yl)methyl)-1-(anthracen-9-ylmethyl)-5-vinylquinuclidin-1-ium bromideA16450O-Allyl-1-(anthracen-9-ylmethyl)cinchonidinium bromideO-Allyl-N-(9-anthracenylmethyl)cinchonidinium bromide 90%(-)-O-(9)-ALLYL-N-(9-ANTHRACENYLMETHYL) CINCHONIDINIUM BROMIDEO-Allyl-N-(9-anthracenylmethyl)cinchonidinium bromide (PTC catalys)

CS-M3023AKOS037643930AS-40817SY0460580-Allyl-N-(9-anthracenylmethyl)cinchonidinium bromideo-allyl-n-(9-anthracenylmethyl) cinchonidinium bromideO-Allyl-N-(9-anthracenylmethyl)cinchonidinium bromide, 90%(2s,4s,5r)-2-((r)-allyloxy(quinolin-4-yl)methyl)-1-(anthracen-9-ylmethyl)-5-vinyl-1-azoniabicyclo[2.2.2]octane bromide

데이터베이스 식별자

CAS: 200132-54-3
PubChem CID: 10886583
EC Number: 606-421-1

물성

구조 계산 물성

극성 표면적: 22.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 8
무거운 원자 수: 41
형식 전하: 0
복잡도: 865

물리화학적 성질

녹는점: 170 °C · 170 °C (dec.)(lit.)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
InChIKey: QOWNPAUSLGATNL-JNKXQCINSA-M
SMILES: [Br-].[H][C@@]12CC[N+](C[C@@H]1C=C)(Cc3c4ccccc4cc5ccccc35)[C@@]([H])(C2)[C@H](OCC=C)c6ccnc7ccccc67

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 39 reports by companies from 2 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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

안전 데이터

wgk: 3
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도O-Allyl-N-(9-anthracenylmethyl)cinchonidinium bromide can catalyze the asymmetric alkylation of tert-butyl glycinate-benzophenone Schiff base with different arylmethyl bromides in a micellar medium.

일반 설명O-Allyl-N-(9-anthracenylmethyl)cinchonidinium bromide is a cinchona-based chiral phase-transfer catalyst (PTC) that can be used in asymmetric synthesis. It can be prepared from N-(9-anthracenylmethyl)cinchonindinium chloride.