메틸(3-)-3-옥세탄메탄올

메틸(3-)-3-옥세탄메탄올
메틸(3-)-3-옥세탄메탄올 구조식 이미지
카스 번호:
3143-02-0
한글명:
메틸(3-)-3-옥세탄메탄올
동의어(한글):
3-메틸-3-옥세테인메탄올;메틸(3-)-3-옥세탄메탄올
상품명:
3-Methyl-3-oxetanemethanol
동의어(영문):
-3-oxetanemethanoL;TIMTEC-BB SBB009078;RARECHEM AK ML 0581;Methyl-3-oxetaneMetha;Cinchone intermediate;3-METHYL-3-OXETANEMETHANOL;3-Methyloxetane-3-methanol;3-METHYL-3-OXETHANEMETHANOL;3-Oxetanemethanol, 3-methyl-;3-HydroxyMethyl-3-Methyl-...
CBNumber:
CB1418754
분자식:
C5H10O2
포뮬러 무게:
102.13
MOL 파일:
3143-02-0.mol
MSDS 파일:
SDS

메틸(3-)-3-옥세탄메탄올 속성

끓는 점
80 °C/40 mmHg (lit.)
밀도
1.024 g/mL at 25 °C (lit.)
굴절률
n20/D 1.446(lit.)
인화점
210 °F
저장 조건
2-8°C
용해도
클로로포름, 메탄올에 용해됩니다.
물리적 상태
액체
산도 계수 (pKa)
14.58±0.10(Predicted)
Specific Gravity
1.024
색상
무색~담황색 투명
BRN
102773
InChI
InChI=1S/C5H10O2/c1-5(2-6)3-7-4-5/h6H,2-4H2,1H3
InChIKey
NLQMSBJFLQPLIJ-UHFFFAOYSA-N
SMILES
O1CC(C)(CO)C1
CAS 데이터베이스
3143-02-0(CAS DataBase Reference)
NIST
3-Methyl-3-oxetanemethanol(3143-02-0)
안전
  • 위험 및 안전 성명
  • 위험 및 사전주의 사항 (GHS)
위험품 표기 Xi
위험 카페고리 넘버 43
안전지침서 23-24/25-36/37
WGK 독일 3
HS 번호 29329990
그림문자(GHS): GHS hazard pictograms
신호 어: Warning
유해·위험 문구:
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드
H302 삼키면 유해함 급성 독성 물질 - 경구 구분 4 경고 GHS hazard pictograms P264, P270, P301+P312, P330, P501
H317 알레르기성 피부 반응을 일으킬 수 있음 피부 과민성 물질 구분 1 경고 GHS hazard pictograms P261, P272, P280, P302+P352,P333+P313, P321, P363, P501
예방조치문구:
P280 보호장갑/보호의/보안경/안면보호구를 착용하시오.
NFPA 704
1
2 0

메틸(3-)-3-옥세탄메탄올 C화학적 특성, 용도, 생산

화학적 성질

Clear colorless to pale yellow liquid

용도

3-Methyl-3-oxetanemethanol has been used in the preparation of star-shaped copolymer consisting of a hyperbranched poly(3-methyl-3-oxetanemethanol) core and polytetrahydrofuran arms, pyridyl disulfide-functionalized cyclic carbonate monomer, required for the synthesis of of functional poly(ε-caprolactone) containing pendant pyridyl disulphide groups and δ-lactams. It is used to synthesize octahydroindole alkaloids and γ-butenolides.

Purification Methods

Purify the oxetane by fractionation through a glass column [Pattison J Am Chem Soc 79 3455 1957, Corey et al. J Am Chem Soc 106 2736 1984]. [Beilstein 17 III/IV 1128.]

Structure and conformation

Sun et al. found that the microsolvation effects influence the conformation of the 3-methyl-3-oxetanemethanol geometry. The hydrogen-bond arrangements in the hydrate complexes, governed by the water-water and water-solute interactions, exhibit characteristic configurations with an increasing number of water molecules and resemble the main isomers of the corresponding pure water clusters. In the jet expansion, two conformations are adopted by the 3-Methyl-3-oxetanemethanol (MOM) monomer, namely gauche- and cis-O4C1C6O7. As the cis conformer provides a better interaction space, most observed MOM-water clusters are formed with the cis conformation, even though the gauche conformer is energetically favored. Starting with the MOM monohydrate and dihydrate, 1D H-bonded chains are formed between the two oxygen atoms of MOM. The interplay between the MOM conformation and the water chain is observed. For the MOM trihydrate and tetrahydrate, 2D H-bonded rings are more favored than the 1D chain, restricted by the space between the two MOM oxygen atoms[1].

메틸(3-)-3-옥세탄메탄올 준비 용품 및 원자재

원자재

준비 용품


메틸(3-)-3-옥세탄메탄올 공급 업체

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