Boc-Tyr-OMe (HCID 7019130)

名称と識別子

優先名称: Boc-Tyr-OMe
IUPAC: methyl (2S)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
現地名: N-(tert-ブトキシカルボニル)-L-チロシンメチル
英語名: Boc-L-Tyrosine methyl ester
分子式: C15H21NO5
分子量: 295.33

名称と別名

Boc-Tyr-OMe4326-36-7DTXSID60427077RefChem:330068DTXCID50377911805-703-3Boc-L-tyrosine methyl esterN-(tert-Butoxycarbonyl)-L-tyrosine methyl esterMFCD00191181N-Boc-L-tyrosine Methyl Estermethyl (2S)-2-{[(tert-butoxy)carbonyl]amino}-3-(4-hydroxyphenyl)propanoatemethyl (2S)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

名称をさらに表示

N-(tert-ブトキシカルボニル)-L-チロシンメチルN-Boc-L-チロシンメチルN‐BOC‐L‐チロシンメチルエステルN-TERT-ブトキシカルボニル-L-チロシンメチルエステルメチル (2S)-2-{[(tert-ブトキシ)カルボニル]アミノ}-3-(4-ヒドロキシフェニル)プロパノアートN-(tert-ブチルオキシカルボニル)-L-チロシンメチルN-(tert-ブトキシカルボニル)-4-ヒドロキシ-L-フェニルアラニンメチルBoc-Tyr-(メチル)OH(2S)-2-(tert-ブチルオキシカルボニルアミノ)-3-(4-ヒドロキシフェニル)プロピオン酸メチル(S)-2-[(tert-ブチルオキシカルボニル)アミノ]-3-(4-ヒドロキシフェニル)プロパン酸メチルN-Boc-チロシンメチルN-(tert-ブトキシカルボニル)チロシンメチルN-(tert-ブトキシカルボニル)-4-ヒドロキシフェニルアラニンメチルＮ-Boc-Ｌ-チロシンメチルエステルBOC-L-TYR-OMEBoc-Tyr-OMe 97%N-BOC-L-Tyr-OmeBOC-TYROSINE-OME-Tyrosine methyLBoc-L-Tyr-Ome-OHBoc-L-Tyrosine methyMethyl N-Boc-L-tyrosinate

methyl N-(tert-butoxycarbonyl)-L-tyrosinateM03336Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-, methyl ester(S)-methyl 2-((tert-butoxycarbonyl)amino)-3-(4-hydroxyphenyl)propanoateN-Boc-tyrosine methyl ester(S)-2-tert-butoxycarbonylamino-3-(4-hydroxy-phenyl)-propionic acid methyl ester(S)-2-tert-Butoxycarbonylamino-3-[4-hydroxy-phenyl]-propionic acid methyl esterOctreotide Impurity 75

データベース識別子

CAS: 4326-36-7
PubChem CID: 7019130
DTXSID: DTXSID60427077
EC Number: 805-703-3
Nikkaji: J465.574E

物性

構造計算による物性

XLogP: 1.7
極性表面積: 84.9 Å²
水素結合供与体数: 2
水素結合受容体数: 5
回転可能結合数: 7
重原子数: 21
形式電荷: 0
複雑度: 356

物理化学的性質

融点: 100 · 100-104 °C(lit.)
比旋光度: 51 · 51 º (c=1 in chloroform)
沸点: 452.7 · 452.7±40.0 °C(Predicted)
比重(密度): 1.169 · 1.169±0.06 g/cm3(Predicted)
屈折率: 50 ° · 50 ° (C=1, MeOH)
貯蔵温度: Sealed in dry,Room Temperature
溶解性: almost transparency in Methanol
酸解離定数(Pka): 9.75 · 9.75±0.15(Predicted)
外見: 粉末または結晶性粉末
色: 白色～淡黄色
主な用途: ペプチド合成
InChI: InChI=1S/C15H21NO5/c1-15(2,3)21-14(19)16-12(13(18)20-4)9-10-5-7-11(17)8-6-10/h5-8,12,17H,9H2,1-4H3,(H,16,19)/t12-/m0/s1
InChIKey: NQIFXJSLCUJHBB-LBPRGKRZSA-N
SMILES: C(OC)(=O)[C@H](CC1=CC=C(O)C=C1)NC(OC(C)(C)C)=O
CAS データベース: 4326 · 4326-36-7(CAS DataBase Reference)

化学的性質

化学的特性Colorless solid

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 75% (3 of 4) of all reports.

Warning

H315 (25%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (25%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (25%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 3 of 4 reports by companies.；There is 1 notification provided by 1 of 4 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.