1,1'-(Azodicarbonyl)dipiperidine

HCID 73042CAS 10465-81-3

기본 정보

표준 SMILES: O=C(N=NC(=O)N1CCCCC1)N1CCCCC1
InChIKey: OQJBFFCUFALWQL-UHFFFAOYSA-N
분자식: C12H20N4O2
평균 분자량: 252.31 g/mol
단동위원소 질량: 252.15862589

이름 및 식별자

우선 이름: 1,1'-(Azodicarbonyl)dipiperidine
IUPAC: N-(piperidine-1-carbonylimino)piperidine-1-carboxamide
영어명: 1,1'-(Azodicarbonyl)-dipiperidine
분자식: C12H20N4O2
분자량: 252.31

이름 및 동의어

1,1'-(Azodicarbonyl)dipiperidinediazene-1,2-diylbis(piperidin-1-ylmethanone)1,1'-(Azodicarbonyl)-dipiperidineAzodicarboxylic acid dipiperidide1,1-(Azodicarbonyl)-DipiperidineN-(piperidine-1-carbonylimino)piperidine-1-carboxamide871024-86-1(E)-diazene-1,2-diylbis(piperidin-1-ylmethanone)AdDPMFCD00010111Piperidine, 1,1'-(azodicarbonyl)bis-(E)-1,1 inverted exclamation mark -(Azodicarbonyl)dipiperidine

이름 더 보기

(NE)-N-(piperidine-1-carbonylimino)piperidine-1-carboxamidesr4077NSC 356027Azodicarboxylic1,1'-(Azodicarbo1,1'-(Azodicarbonyl)Diphenylpiperidylcarboxylate

azodicarbonyldipiperidine1,1'-[azodicarbonyl]dipiperidine1,1'-Azobis(N,N-pentamethyleneformamide)Azodicarbonyl dipiperidine(azodicarbonyl)dipiperidineN-[(piperidine-1-carbonyl)imino]piperidine-1-carboxamideSCHEMBL10791Methanone, 1,1'-(1E)-1,2-diazenediylbis[1-(1-piperidinyl)-

데이터베이스 식별자

CAS: 10465-81-3
PubChem CID: 73042
DTXSID: DTXSID001377440

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 65.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 18
형식 전하: 0
복잡도: 299

물리화학적 성질

녹는점: 132 · 132-136 °C(lit.)
끓는 점: 366.4 · 366.4±25.0 °C(Predicted)
밀도: 1.29 · 1.29±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 0 · -0+-.0.20(Predicted)
물리적 상태: 고체
색상: 노란색
수용성: 물에 약간 용해됩니다.
BRN: 261917 · 261917
InChI: InChI=1S/C12H20N4O2/c17-11(15-7-3-1-4-8-15)13-14-12(18)16-9-5-2-6-10-16/h1-10H2
InChIKey: OQJBFFCUFALWQL-UHFFFAOYSA-N
SMILES: N(C(N1CCCCC1)=O)=NC(N1CCCCC1)=O

화학적 성질

yellow crystalline powder

안전 및 규제

안전 데이터

wgk: 3
tsca: No
ridadr: 3234
HS 번호: 29339900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36

화학 및 산업

응용 분야 · 2건

개요1,1''-(Azodicarbonyl)dipiperidine (ADDP) is a reagent commonly used in the Mitsunobu reaction for the condensation of an alcohol and an acidic compound. It has been used as a reagent in the synthesis of G protein-coupled receptor 120 (GPR120) agonists with antidiabetic activity and peroxisome proliferator-activated receptor α (PPARα), PPARγ, and PPARδ triple agonists.

용도It is used in a study of the copper-catalyzed addition of aryboronic acids to azodicarboxyl derivatives providing aryl-substituted hydrazides. It is widely used reagent for the Mitsunobu reaction. It is reactant for preparation of polyfluoroalkylated tripyrazolylmethane ligands, (-)-Hygromycin A via Mitsunobu glycosylation, optically active α,α-disubstituted amino acids via Mitsunobu reaction, aza-β-lactams through [2+2] cycloaddition reactions, glycosyl disulfides, pyridine ether PPAR agonists, S-glycosyl amino acid, building blocks for combinatorial neoglycopeptide synthesis and is a histamine H3 receptor antagonists. It is a reactant for Mitsunobu inversion reactions.