L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-
기본 정보
- CAS
13734-34-4- 표준 SMILES
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)O- InChIKey
ZYJPUMXJBDHSIF-NSHDSACASA-N- 분자식
- C14H19NO4
- 평균 분자량
- 265.3 g/mol
- 단동위원소 질량
- 265.13140809
이름 및 식별자
- 우선 이름
- L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-
- IUPAC
- (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
- 영어명
- N-(tert-Butoxycarbonyl)-L-phenylalanine
- 분자식
- C14H19NO4
- 분자량
- 265.3
이름 및 동의어
N-(tert-Butoxycarbonyl)-L-phenylalanineN-t-Butyloxycarbonyl-L-phenylalanineN-tert-Butyloxycarbonyl-L-phenylalanineL-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-NSC 111172EINECS 237-305-5N-(tert-Butoxycarbonyl)phenylalanineAlanine, N-carboxy-3-phenyl-, N-tert-butyl ester, L-DTXSID90884634L-Phenylalanine, N-((1,1-dimethylethoxy)carbonyl)-N-((1,1-Dimethylethoxy)carbonyl)-N-L-phenylalanineN-[(1,1-Dimethylethoxy)carbonyl]-N-L-phenylalanine
이름 더 보기
BOC-PHEBOC-L-PHE-OHBOC-L-PHEN-BOC-L-PHENYLALANINEBOC-ph-OHBOC Phenly Alanine
RefChem:797353DTXCID701024064Alanine, N-carboxy-3-phenyl-, N-tert-butyl ester, L-(8CI)237-305-513734-34-4Boc-Phe-OHBoc-L-phenylalanineBoc-phenylalanine
데이터베이스 식별자
- CAS
13734-34-4- PubChem CID
- 77857
- DTXSID
DTXSID90884634- ChEMBL
CHEMBL1222330- EC Number
- 237-305-5
- Nikkaji
- J124.089G
물성
구조 계산 물성
- XLogP
- 2.2
- 극성 표면적
- 75.6 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 316
물리화학적 성질
- 녹는점
- 85 · 85-87 °C(lit.)
- 끓는 점
- 408.52 °C · 408.52°C (rough estimate)
- 밀도
- 1.1356 · 1.1356 (rough estimate)
- 굴절률
- 24.5 ° · 24.5 ° (C=1, EtOH)
- 저장 조건
- Keep in dark place,Sealed in dry,Room Temperature
- 용해도
- -2 · 메탄올, 디클로로메탄, 디메틸포름아미드 및 N-메틸-2-피롤리돈에 용해됩니다.
- 산도 계수 (pKa)
- 3.88 · 3.88±0.10(Predicted)
- 물리적 상태
- 미세 결정성 분말
- 색상
- 하얀색
- BRN
- 2219729 · 2219729
- 주요 응용
- 펩타이드 합성
- InChI
- InChI=1S/C14H19NO4/c1-14(2,3)19-13(18)15-11(12(16)17)9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,15,18)(H,16,17)/t11-/m0/s1
- InChIKey
- ZYJPUMXJBDHSIF-NSHDSACASA-N
- SMILES
- C(O)(=O)[C@H](CC1=CC=CC=C1)NC(OC(C)(C)C)=O
- EPA
- L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]- (13734-34-4)
화학적 성질
N-(tert-Butoxycarbonyl)-L-phenylalanine is white fine crystalline powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 30% (3 of 10) of reports.
Warning
H302 (30%): 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 10 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (30%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 29242990
- risk_code
- 36-22-36/37/38-20/21/22
- hazard_code
- Xn,Xi
- safety_code
- 39-26-36-24/25
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
General Manufacturing InformationL-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-: INACTIVE
응용 분야
용도N-(tert-Butoxycarbonyl)-L-phenylalanine is used in enantioselective hydrolysis of amino acid esters. Acts as an inhibitor of gastric acid secretion.
제조 방법
Sodium hydroxide (4.4 g, 0.11 mol) was placed in a flask, and dissolved in water (110 mL). Phenylalanine (16.5 g, 0.1 mol) was added, the suspension was stirred until a solution was obtained, and then tert-butanol (75 mL) was added. Boc2O (22.3 g, 0.12 mol) was then added with stirring over a period of 1 h, keeping the mixture near 0 ℃. A white precipitate was produced, and at the end of the addition the pH had dropped to 7.5–8.5. The mixture was then carefully acidified by the slow, continuous addition of saturated citric acid to give the product N-tert-butoxycarbonyl-L-phenylalanine (21.5 g, 81%); mp 85℃; [a]21D = t25:5 (c = 1, ethanol).
상·하류 제품 정보
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하류 제품
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