기본 정보
- CAS
71989-31-6- 표준 SMILES
O=C(O)[C@@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21- InChIKey
ZPGDWQNBZYOZTI-SFHVURJKSA-N- 분자식
- C20H19NO4
- 평균 분자량
- 337.4 g/mol
- 단동위원소 질량
- 337.13140809
이름 및 식별자
- 우선 이름
- Fmoc-Pro-OH
- IUPAC
- (2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carboxylic acid
- 영어명
- Fmoc-Pro-OH
- 분자식
- C20H19NO4
- 분자량
- 337.37
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
71989-31-6- PubChem CID
- 688135
- DTXSID
DTXSID401318313- ChEMBL
CHEMBL4637507- UNII
- 3HXX85PZ7M
- EC Number
- 276-259-0
- Nikkaji
- J256.552H
물성
구조 계산 물성
- XLogP
- 3.4
- 극성 표면적
- 66.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 500
물리화학적 성질
- 녹는점
- 117 · 117-118 °C(lit.)
- 끓는 점
- 473.68 °C · 473.68°C (rough estimate)
- 밀도
- 1.2486 · 1.2486 (rough estimate)
- 굴절률
- -32.5 ° · -32.5 ° (C=1, DMF)
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- 메탄올에 용해됩니다. (거의 투명합니다.)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 3.95 · 3.95±0.20(Predicted)
- 색상
- 흰색에서 황백색까지
- Specific Activity
- 50 · 50-60 mCi/mmol
- BRN
- 3596735 · 3596735
- 주요 응용
- 펩타이드 합성
- InChI
- 1S/C20H19NO4/c22-19(23)18-10-5-11-21(18)20(24)25-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17-18H,5,10-12H2,(H,22,23)/t18-/m0/s1
- InChIKey
- ZPGDWQNBZYOZTI-SFHVURJKSA-N
- SMILES
- OC(=O)[C@@H]1CCCN1C(=O)OCC2c3ccccc3-c4ccccc24
화학적 성질
white to light yellow crystal powder.
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 50% (5 of 10) of reports.
Warning
H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 10 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
안전 데이터
- wgk
- 3
- HS 번호
- 2933 99 80
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36-24/25
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
개요Fmoc-Pro-OH is easily dissolved in DMF or NMP. Proline fails to produce a blue-to purple color in the Kaiser test. The Isatin test may be used to test the completion of couplings to proline residues.
용도L-Proline-N-Fmoc is N-Fmoc protected L-Proline (P755995) which is an amino acid and precursor (with vitamin C) for collagen, the building block of the structure of tendons, ligaments, arteries, veins and muscles. It is important in wound healing.
일반 설명Fmoc-Pro-OH has been instrumental in synthesizing peptides and proteins and in the development of new agents. Additionally, Fmoc-P-OH has been extensively employed in both in vivo and in vitro studies, with a focus on enzyme function, protein structure, and drug design investigations.
제조 방법
To a solution of (S)-pyrrolidine-2-carboxylic acid (1 g, 8.7 mmol) in 1,4-dioxane (4 mL) and water (15 mL), K2CO3 (3.24 g, 23 mmol) was added, followed by the addition of 9-fluorenylmethyl chloroformate (2.3 g, 8.3 mmol). The resulting mixture was stirred overnight at room temperature and then treated with water (10 mL). The resulting mixture was extracted with diethyl ether (2 x 20 mL), and the aqueous phase was made acidic with 1M HCl to a pH of 2-3, followed by extraction with dichloromethane (3 x 50 mL). The combined organic layers were dried using anhydrous sodium sulfate and concentrated to yield Fmoc-Pro-OH as a white solid in a 95% yield (2.8 g).
상·하류 제품 정보
상류 원료
하류 제품
공급사100 곳
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