CAS 38222-83-2 2,6-Di-tert-butyl-4-methylpyridine (HCID 98898)

이름 및 식별자

우선 이름: 2,6-Di-tert-butyl-4-methylpyridine
IUPAC: 2,6-ditert-butyl-4-methylpyridine
영어명: 2,6-Di-tert-butyl-4-methylpyridine
분자식: C14H23N
분자량: 205.34

이름 및 동의어

2,6-Di-tert-butyl-4-methylpyridine38222-83-2DTBMP2,6-di-t-Butyl-4-methylpyridine4-methyl-2,6-di-tert-butylpyridine2,6-di-tert-butyl-4-picolineUNII-83004E89V52,6-di-t-butyl-4-methyl-pyridineEINECS 253-834-4NSC-17579283004E89V52,6-bis(1,1-dimethylethyl)-4-methylpyridine

이름 더 보기

Dibutylmethylpyridine2,6-Di-tert-butyl-4-methylpyridinD2419AB1003AC-5133AC1L40I3Di-tert-butyl-4-Methylpyr

DTXSID10191615NSC 1757922,6-DI-TERT-BUTYL-4-METHYLPYRIDINE [MI]IDINE, 2,6-BIS(1,1-DIMETHYLETHYL)-4-METHYL-RefChem:831052,6Ditertbutyl4picoline4Methyl2,6ditertbutylpyridineDTXCID50114106

데이터베이스 식별자

CAS: 38222-83-2
PubChem CID: 98898
DTXSID: DTXSID10191615
UNII: 83004E89V5
EC Number: 253-834-4
Nikkaji: J89.216E

물성

구조 계산 물성

XLogP: 4.6
극성 표면적: 12.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 184

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Pyridines

Physical DescriptionColorless liquid that slowly solidifies; mp = 31-32 deg C; [Merck Index] White or light brown solid; mp = 30-35 deg C; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: 33 · 33-36 °C (lit.)
끓는 점: 233 °C · 233 °C (lit.)
밀도: 1 · 1,476 g/cm3
굴절률: 20 · n20/D 1.4763(lit.)
인화점: 183 °F · 183 °F
저장 조건: 2 · 2-8°C
용해도: 5 %, · 에탄올: 가용성 5%, 투명하거나 약간 흐릿함, 무색 내지 진한 노란색
물리적 상태: 액체 또는 저융점 고체
산도 계수 (pKa): 6.88 · 6.88±0.10(Predicted)
색상: 갈색
수용성: 물에 거의 용해되지 않습니다. 에탄올, 아세트산 및 디에틸 에테르에 용해됩니다.
BRN: 130503 · 130503
InChI: 1S/C14H23N/c1-10-8-11(13(2,3)4)15-12(9-10)14(5,6)7/h8-9H,1-7H3
InChIKey: HVHZEKKZMFRULH-UHFFFAOYSA-N
SMILES: Cc1cc(nc(c1)C(C)(C)C)C(C)(C)C

화학적 성질

light yellow powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (89.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationPyridine, 2,6-bis(1,1-dimethylethyl)-4-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryAn irritant; [Alfa Aesar MSDS]

Hazard Classes and CategoriesAcute Tox. 4 (89.1%)

안전 데이터

wgk: 3
HS 번호: 29333990
risk_code: 22-36/37/38
hazard_code: Xn,Xi
safety_code: 26-37/39
F 고인화성물질: 8-10-23
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

UsesUsed as a reagent in synthetic organic chemistry (acid scavenger); [Merck Index]

응용 분야 · 2건

용도2,6-Di-tert-butyl-4-methylpyridine is used for the generation of enol triflates from ketones using trifluoromethanesulfonic anhydride. It is also used in the synthesis of 1,2-dihydro-2-silanaphthalene derivatives, as base in PtCl4-catalyzed cyclization reactions of homopropargyl azide derivatives and in diastereoselective synthesis of β-thiomannopyranosides.

일반 설명2,6-Di-tert-butyl-4-methylpyridine is a sterically hindered, non-nucleophilic base which distinguishes between protonic and Lewis acids. It also enables the direct high-yield conversion of aldehydes and ketones to vinyl triflates. It inhibits desilylation and hydration of the products during GaCl3-catalyzed ortho-ethynylation of phenol.