Boc-D-phenylalanine

HCID 637610CAS 18942-49-9

기본 정보

표준 SMILES: CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)O
InChIKey: ZYJPUMXJBDHSIF-LLVKDONJSA-N
분자식: C14H19NO4
평균 분자량: 265.3 g/mol
단동위원소 질량: 265.13140809

개요

N-Boc-D-phenylalanine is a D-phenylalanine derivative that is D-phenylalanine in which the amino group is replaced by a (tert-butoxycarbonyl)amino group. It is a tert-butyl ester and a D-phenylalanine derivative.

이름 및 식별자

우선 이름: Boc-D-phenylalanine
IUPAC: (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
영어명: BOC-D-Phenylalanine
분자식: C14H19NO4
분자량: 265.3

이름 및 동의어

Boc-D-phenylalanine18942-49-9DTXSID50348469n-tert-butoxycarbonyl-d-phenylalanineRefChem:569768DTXCID30299541606-177-6Boc-D-Phe-OHN-Boc-D-phenylalanineN-(tert-Butoxycarbonyl)-D-phenylalanineMFCD00063149(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid

이름 더 보기

BOC-D-PHE(R)-2-((tert-butoxycarbonyl)aMino)-3-phenylpropanoic acidBoc-D-Phe-OH ,≥99%BC-D-phenylalanineRARECHEM AL BE 0806BOC-D-PHENYLALANINE-OH

(2R)-2-{[(tert-butoxy)carbonyl]amino}-3-phenylpropanoic acidd-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-(TERT-BUTOXYCARBONYL)-D-PHENYLALANINEtert-butyloxycarbonyl-d-phenylalanineN-tert-butyloxycarbonyl-D-phenylalanine(R)-2-(TERT-BUTOXYCARBONYLAMINO)-3-PHENYLPROPANOIC ACIDN-alpha-tert-Butyloxycarbonyl-D-phenylalanineM03311

데이터베이스 식별자

CAS: 18942-49-9
PubChem CID: 637610
DTXSID: DTXSID50348469
ChEBI: CHEBI:231572
EC Number: 606-177-6
Nikkaji: J814.363C

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 75.6 Å²
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: 78 · 78-87 °C
끓는 점: 408.52 °C · 408.52°C (rough estimate)
밀도: 1.1356 · 1.1356 (rough estimate)
굴절률: -25 ° · -25 ° (C=1, EtOH)
저장 조건: 2 · 2-8°C
용해도: DMSO, 에탄올, 메탄올 에 용해됨
산도 계수 (pKa): 3.88 · 3.88±0.10(Predicted)
물리적 상태: 미세 결정성 분말
색상: 하얀색
수용성: 불용성
BRN: 3593396 · 3593396
주요 응용: 펩타이드 합성
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-/m1/s1
InChIKey: ZYJPUMXJBDHSIF-LLVKDONJSA-N
SMILES: CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(O)=O

화학적 성질

white fine crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 60% (3 of 5) of all reports.

Warning

H319 (40%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 3 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesEye Irrit. 2 (40%)

안전 데이터

wgk: 3
HS 번호: 29242990
hazard_code: Xi
safety_code: 24/25
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

개요BOC-D-Phenylalanine is the BOC (tert-butyloxycarbonyl) protected form of D-phenylalanine. It can be used in the synthesis of benzo[de][1,7] napthyridinones as PARP1 inhibitors. It is also an important reagent during the manufacturing of proline-containing, ß-turn mimetic cycle tetrapeptides.

상·하류 제품 정보

상류 원료

하류 제품

N-(tert-Butoxycarbonyl)-L-phenylalanine D-Phenylalanine methyl ester hydrochloride BOC-D-PHE-OSU N-Boc-D-페닐알라닌N'-메톡시-N'-메틸라미드

공급사50 곳

北京华美互利生物化工010-56205725 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

科瑞迪化学400-821-5857 021-64326257 · [email protected]

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