BOC-L-亮氨酸

L-Leucine, N-((1,1-dimethylethoxy)carbonyl)-

HCID 83170CAS 13139-15-6

基本信息

标准SMILES: CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)O
InChIKey: MDXGYYOJGPFFJL-QMMMGPOBSA-N
分子式: C11H21NO4
平均分子量: 231.29 g/mol
单同位素质量: 231.14705815

概述

N(alpha)-t-butoxycarbonyl-L-leucine is a L-leucine derivative obtained by the substitution of a t-butoxycarbonyl group on the nitrogen atom. It is a carbamate ester and a L-leucine derivative.

名称与标识

首选名称: L-Leucine, N-((1,1-dimethylethoxy)carbonyl)-
IUPAC: (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
中文名: BOC-L-亮氨酸
英文名: BOC-L-Leucine
分子式: C11H21NO4
分子量: 231.29

名称与别名

tert-Butoxycarbonyl-L-leucineN-tert-ButoxycarbonylleucineN-tert-Butyloxycarbonyl-L-leucinetert-Butyloxycarbonyl-L-leucinetert-ButyloxycarbonylleucineNSC 108690L-Leucine, N-[(1,1-dimethylethoxy)carbonyl]-N-((1,1-Dimethylethoxy)carbonyl)-L-leucineN-[(1,1-Dimethylethoxy)carbonyl]-L-leucineLeucine, N-carboxy-, N-tert-butyl ester, L-EINECS 236-073-2Boc-Leu-OH monohydrate

展开更多名称

-亮氨酸一水合物BOC-L-亮氨酸L-BOC-亮氨酸叔丁氧羰酰基-亮氨酸BOC-L-LEU亮N-BOC-L-亮氨酸叔丁氧羰基-L-亮氨酸BOC-L-亮氨酸水合物BOC-L-亮氨酸一水BOC-L-亮氨酸一水物BOC-LEU-OHBOC-LEUBOC-L-LEU-OHN-Boc-L-leucineBOC-L-LeuBOC-LEU-OH·H2ON-TERT-BUTOXYCARBONYL-L-LEUCINEn-[(1,1-dimethylethoxy)carbonyl]-l-leucinBoc-Leu-OH·H

DTXSID80884507L-Leucine, N-((1,1-dimethylethoxy)carbonyl)-RefChem:796793DTXCID901023943Leucine, N-carboxy-, N-tert-butyl ester, L-(8CI)236-073-213139-15-6Boc-L-leucine

数据库标识

CAS: 13139-15-6
PubChem CID: 83170
DTXSID: DTXSID80884507
ChEMBL: CHEMBL1222009
ChEBI: CHEBI:28702
EC Number: 236-073-2
Nikkaji: J184.523C

性质

结构计算性质

XLogP: 2.2
极性表面积: 75.6 Å²
氢键供体: 2
氢键受体: 4
可旋转键: 6
重原子: 16
形式电荷: 0
复杂度: 255

物理化学性质

熔点: 85 · 85-87 °C
沸点: 356 · 356.0±25.0 °C(Predicted)
密度: 1.061 · 1.061±0.06 g/cm3(Predicted)
折射率: -25 ° · -25 ° (C=2, AcOH)
储存条件: 2 · Sealed in dry,2-8°C
溶解度: Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
酸度系数(pKa): 4.02 · 4.02±0.21(Predicted)
形态: Powder
颜色: White
旋光度 (Optical Rotation): 20 · [α]20/D 25±0.5°, c = 2% in acetic acid
BRN: 1711814 · 1711814
InChI: InChI=1S/C11H21NO4/c1-7(2)6-8(9(13)14)12-10(15)16-11(3,4)5/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14)/t8-/m0/s1
InChIKey: URQQEIOTRWJXBA-QRPNPIFTSA-N
SMILES: C(O)(=O)[C@H](CC(C)C)NC(OC(C)(C)C)=O
CAS 数据库: 13139 · 13139-15-6(CAS DataBase Reference)
EPA化学物质信息: L-Leucine, N-[(1,1-dimethylethoxy)carbonyl]- (13139-15-6)

安全与法规

GHS分类

GHS Classification · 5 条

This chemical does not meet GHS hazard criteria for 80% (4 of 5) of all reports.

Warning

H315 (20%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危害信息

Hazard Classes and CategoriesSkin Irrit. 2 (20%)

安全数据

wgk: 3
tsca: TSCA listed
安全说明: 26-36
海关编码: 29241990
危险品标志: Xi,Xn
危险类别码: 20/21/22-36/37/38

化学与工业

用途与制造

General Manufacturing InformationL-Leucine, N-[(1,1-dimethylethoxy)carbonyl]-: ACTIVE

应用领域

用途用于生化试剂，多肽合成。

上下游产品信息

下游产品

试剂价格

A10647 · 5g: N-Boc-L-亮氨酸水合物, 99%N-Boc-L-leucine hydrate, 99% — 255元
HY-I0931 · 100 g: BOC-L-亮氨酸Boc-L-Leu-OH — 120元

供应商50 家

国药集团化学试剂有限公司86-21-63210123 · [email protected]

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]

上海艾澜医药有限公司021-58099609-8008 13816260319 · [email protected]

Syntechem Co.,Ltd[email protected]

关联笔记

加载中…