FMOC-D-TIC-OH

(3R)-2-(((9H-fluoren-9-yl)methoxy)carbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

HCID 978342

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 130309-33-0
標準SMILES: O=C(O)[C@H]1Cc2ccccc2CN1C(=O)OCC1c2ccccc2-c2ccccc21
InChIKey: LIRBCUNCXDZOOU-HSZRJFAPSA-N
分子式: C25H21NO4
平均分子量: 399.4 g/mol
単同位体質量: 399.14705815

名称と識別子

優先名称: (3R)-2-(((9H-fluoren-9-yl)methoxy)carbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
IUPAC: (3R)-2-(9H-fluoren-9-ylmethoxycarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
現地名: FMOC-D-TIC-OH
英語名: N-Fmoc-D-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid
分子式: C25H21NO4
分子量: 399.44

名称と別名

(3R)-2-{[(9H-fluoren-9-yl)methoxy]carbonyl}-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid(3R)-2-(((9H-fluoren-9-yl)methoxy)carbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid(3R)-2-[[(9H-Fluoren-9-yl)methoxy]carbonyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acidRefChem:400768811-735-9Fmoc-D-Tic-OH130309-33-0Fmoc-D-TicMFCD00144345(R)-2-(((9H-Fluoren-9-yl)methoxy)carbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acidFmoc-D-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid(3R)-2-(9H-fluoren-9-ylmethoxycarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

名称をさらに表示

FMOC‐D‐TIC‐OHFMOC-D-1,2,3,4-テトラヒドロイソキノリン-3-カルボン酸Ｎ-Fmoc-D-1,2,3,4-テトラヒドロイソキノリン-3-カルボン酸FMOC-D-TIQRARECHEM BK PT 0081N-ALPHA-(9-FLUORENYLMETHOXYCAFmoc-D-Tetrahydroisoquinoline-3-COON-Fmoc-D-1,2,3,4-Tetrahydroisoquinoline(9H-Fluoren-9-yl)MethOxy]Carbonyl D-Tic-OHFMOC-D-TETRAHYDROISOQUINOLINE-1-CARBOXYLIC ACID

n-fmoc-d-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid(R)-(-)-2-(9-Fluorenylmethoxycarbonyl)-1,2,3,4-Tetrahydro-3-Isoquinolinecarboxylic Acidfmoc-(3r)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid2,3(1H)-Isoquinolinedicarboxylic acid, 3,4-dihydro-, 2-(9H-fluoren-9-ylmethyl) ester, (3R)-LIRBCUNCXDZOOU-HSZRJFAPSA-NFA95P6EJC7SCHEMBL13252698SCHEMBL29400546

データベース識別子

CAS: 130309-33-0
PubChem CID: 978342
UNII: FA95P6EJC7
EC Number: 811-735-9

物性

構造計算による物性

XLogP: 4.4
極性表面積: 66.8 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 4
重原子数: 30
形式電荷: 0
複雑度: 629

物理化学的性質

融点: 160 · 160-164 °C
沸点: 522.37 °C · 522.37°C (rough estimate)
比重(密度): 1.239 · 1.2390 (rough estimate)
屈折率: 1.6 · 1.6000 (estimate)
貯蔵温度: -20 °C · Sealed in dry,Store in freezer, under -20°C
溶解性: Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
外見: Powder
酸解離定数(Pka): 3.82 · 3.82±0.20(Predicted)
色: White to off-white
主な用途: ペプチド合成
InChI: InChI=1S/C25H21NO4/c27-24(28)23-13-16-7-1-2-8-17(16)14-26(23)25(29)30-15-22-20-11-5-3-9-18(20)19-10-4-6-12-21(19)22/h1-12,22-23H,13-15H2,(H,27,28)/t23-/m1/s1
InChIKey: LIRBCUNCXDZOOU-HSZRJFAPSA-N
SMILES: C1C2=C(C=CC=C2)C[C@H](C(O)=O)N1C(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O
CAS データベース: 130309 · 130309-33-0(CAS DataBase Reference)

化学的性質

化学的特性white crystalline powder

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): 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 2 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 1 of 2 reports by companies.；There is 1 notification provided by 1 of 2 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.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (50%)；Eye Irrit. 2A (50%)；STOT SE 3 (50%)

安全データ

wgk: 3
hs_code: 29334900
hazard_code: Xi
safety_code: 24/25
hazard_class: IRRITANT
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野

使用Fmoc-D-Tic-OH, is an amino acid derivative used in peptide chemistry.

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化合物ノート

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