cis-4-Hydroxycyclohexanecarboxylic acid

cis-4-Hydroxycyclohexanecarboxylic acid 구조식 이미지
카스 번호:
3685-22-1
상품명:
cis-4-Hydroxycyclohexanecarboxylic acid
동의어(영문):
CIS-4-HYDROXYCYCLOHEXANECARBOXYLIC ACID;CIS-4-HYDROXYCYCLOHEXANECARBOXYLIC ACID;RANS-4-HYDROXYCYCLOHEXANECARBOXYLIC ACID;TRANS-4-HYDROXYCYCLOHEXANECARBOXYLIC ACID;cis-4-HydroxycyclohexanecarboxylicAcid>cis-4-Hydroxycyclohexane-1-carboxylic acid;(1s,4s)-4-hydroxycyclohexanecarboxylic acid;Cyclohexanecarboxylic acid, 4-hydroxy-, cis-;(1s,4s)-4-hydroxycyclohexane-1-carboxylic acid;cis-4-Hydroxycyclohexanecarboxylic Acid
CBNumber:
CB0727376
분자식:
C7H12O3
포뮬러 무게:
144.17
MOL 파일:
3685-22-1.mol
MSDS 파일:
SDS

cis-4-Hydroxycyclohexanecarboxylic acid 속성

녹는점
150°C
끓는 점
115 °C(Press: 8 Torr)
밀도
1.246
저장 조건
2-8°C
용해도
almost transparency in Methanol
물리적 상태
powder to crystal
산도 계수 (pKa)
pK1:4.836 (25°C)
색상
흰색에서 거의 흰색
InChI
InChI=1S/C7H12O3/c8-6-3-1-5(2-4-6)7(9)10/h5-6,8H,1-4H2,(H,9,10)/t5-,6+
InChIKey
HCFRWBBJISAZNK-OLQVQODUSA-N
SMILES
[C@@H]1(C(O)=O)CC[C@H](O)CC1
CAS 데이터베이스
3685-22-1
안전
  • 위험 및 안전 성명
  • 위험 및 사전주의 사항 (GHS)
위험품 표기 T
위험 카페고리 넘버 36/37/38-25
안전지침서 26-36/37/39-45
유엔번호(UN No.) UN 2811 6.1 / PGIII
HS 번호 2918199890
그림문자(GHS): GHS hazard pictograms
신호 어: Warning
유해·위험 문구:
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드
H315 피부에 자극을 일으킴 피부부식성 또는 자극성물질 구분 2 경고 GHS hazard pictograms P264, P280, P302+P352, P321,P332+P313, P362
H319 눈에 심한 자극을 일으킴 심한 눈 손상 또는 자극성 물질 구분 2A 경고 GHS hazard pictograms P264, P280, P305+P351+P338,P337+P313P
예방조치문구:
P264 취급 후에는 손을 철저히 씻으시오.
P264 취급 후에는 손을 철저히 씻으시오.
P280 보호장갑/보호의/보안경/안면보호구를 착용하시오.
NFPA 704
0
1 0

cis-4-Hydroxycyclohexanecarboxylic acid C화학적 특성, 용도, 생산

화학적 성질

White to Almost white powder to crystal. Melting point: 148.0 to 152.0 °C.

Synthesis

cis-4-Hydroxycyclohexanecarboxylic acid can be synthesized through the following steps:
1. In an argon glove box, dissolve ligands L1-(S,R)-f-ambinol (7.5mg, 0.0105mmol) and [Ir(COD)Cl]2 (3.4mg, 0.005mmol) in 1 mL of iPrOH in a 2mL vial and stir at room temperature for 2 h.
2. Put 1 mmol of raw material 4-substituted cyclohexanone into a 4 mL hydrogenation flask.
3. Add 0.1 mL of the in-situ complexed catalyst solution and 1.6 mg of tBuOLi solid powder to the hydrogenation flask.
4. Add 1 mL of EtOH to dissolve the reactants in the hydrogenation flask.
5. Put the reaction flask into the hydrogenation kettle and replace the kettle body with hydrogen three times.
6. Fill the kettle with 5bar H2 and react at room temperature for 12h.
7. After the reaction is completed, carefully release the hydrogen and spin-dry the solvent under reduced pressure.
8. Purify the hydrogenated product cis-4-substituted cyclohexanol by silica gel column.
9. Obtain the final product cis-4-Hydroxycyclohexanecarboxylic acid.

cis-4-Hydroxycyclohexanecarboxylic acid 준비 용품 및 원자재

원자재

준비 용품


cis-4-Hydroxycyclohexanecarboxylic acid 공급 업체

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