(S)-(+)-2-(Methoxymethyl)pyrrolidine

HCID 671217

기본 정보

CAS: 63126-47-6
표준 SMILES: COC[C@@H]1CCCN1
InChIKey: CHPRFKYDQRKRRK-LURJTMIESA-N
분자식: C6H13NO
평균 분자량: 115.17 g/mol
단동위원소 질량: 115.09971404

개요

(S)-2-(methoxymethyl)pyrrolidine is a member of the class of pyrrolidines in which the only substituent is a methoxymethyl group at position 2 (the S-enantiomer0. It is an ether and a member of pyrrolidines.

이름 및 식별자

우선 이름: (S)-(+)-2-(Methoxymethyl)pyrrolidine
IUPAC: (2S)-2-(methoxymethyl)pyrrolidine
영어명: (S)-(+)-2-(Methoxymethyl)pyrrolidine
분자식: C6H13NO
분자량: 115.17

이름 및 동의어

(S)-(+)-2-(Methoxymethyl)pyrrolidineDTXSID101291148(+)-(S)-2-(Methoxymethyl)pyrrolidineNSC 305701RefChem:407600DTXCID001721748626-212-963126-47-6(S)-2-(Methoxymethyl)pyrrolidine(2S)-2-(methoxymethyl)pyrrolidineO-Methyl-L-prolinolMFCD00010408

이름 더 보기

SMPH-PRO-OL(ME)H-S-PYR-MEOMEL-Prolinol-OMeO-METHYL-D-PROLINOLPROLINOL-METHYL-ETHERL-PROLINOL METHYL ETHERO-Methyl-L-prolinol, SMP

(S)-2-METHOXYMETHYLPYRROLIDINE(S)-(+)-2-(Methoxymethyl)pyrolidinePYRROLIDINE, 2-(METHOXYMETHYL)-, (2S)-SCHEMBL60633AKOS015851527(S)-(+)-2-(methoxymethyl)-pyrrolidineAS-11139EN300-318141

데이터베이스 식별자

CAS: 63126-47-6
PubChem CID: 671217
DTXSID: DTXSID101291148
ChEBI: CHEBI:131426

물성

구조 계산 물성

XLogP: 0.2
극성 표면적: 21.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 8
형식 전하: 0
복잡도: 65.5

물리화학적 성질

끓는 점: 62 °C40 · 62 °C40 mm Hg(lit.)
밀도: 0.933 g/mL · 0.933 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.446
인화점: 114 °F · 114 °F
저장 조건: 2 · Keep in dark place,Inert atmosphere,2-8°C
용해도: 2 O, · sol H2O, ether, dichloromethane.
물리적 상태: 액체
산도 계수 (pKa): 10.01 · 10.01±0.10(Predicted)
색상: 무색~황색으로 투명함
BRN: 3587324 · 3587324
InChI: InChI=1S/C6H13NO/c1-8-5-6-3-2-4-7-6/h6-7H,2-5H2,1H3/t6-/m0/s1
InChIKey: CHPRFKYDQRKRRK-LURJTMIESA-N
SMILES: N1CCC[C@H]1COC

화학적 성질

clear colorless to yellow liquid

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 4건

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

안전 데이터

wgk: 3
ridadr: UN 1993 3/PG 3
HS 번호: 29339900
risk_code: 10-36/37/38
hazard_code: Xi
safety_code: 26-36
포장분류: III
위험 등급: 3
F 고인화성물질: 3-9-34
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야 · 1건

용도(S)-(+)-2-(Methoxymethyl)pyrrolidine may be used to prepare planar chiral 2-phospha[3]ferrocenophanes. It may also be used as an organocatalyst in the cross-aldol reaction of dihydroxyacetone with p-nitrobenzaldehyde to form the corresponding polyol. SMP reacts with benzoylformic acid to form (S)-N-benzoylformyl-2-(methoxymethyl)-pyrrolidine.

공급사100 곳

北京华美互利生物化工010-56205725 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

苏州道澜生物医药科技有限公司15952404857 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

화합물 노트

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기본 정보

CAS: 63126-47-6
표준 SMILES: COC[C@@H]1CCCN1
InChIKey: CHPRFKYDQRKRRK-LURJTMIESA-N
분자식: C6H13NO
평균 분자량: 115.17 g/mol
단동위원소 질량: 115.09971404

개요