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

HCID 978342

Basic information

CAS
130309-33-0
Standard SMILES
O=C(O)[C@H]1Cc2ccccc2CN1C(=O)OCC1c2ccccc2-c2ccccc21
InChIKey
LIRBCUNCXDZOOU-HSZRJFAPSA-N
Molecular formula
C25H21NO4
Average molar mass
399.4 g/mol
Monoisotopic mass
399.14705815

Names & identifiers

Preferred name
(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
English name
N-Fmoc-D-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid
Molecular formula
C25H21NO4
Molecular weight
399.44

Names & synonyms

(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
Show more names
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

Database identifiers

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

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
66.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
30

Physicochemical properties

Melting point
160 · 160-164 °C
Boiling point
522.37 °C · 522.37°C (rough estimate)
Density
1.239 · 1.2390 (rough estimate)
refractive index
1.6 · 1.6000 (estimate)
storage temp.
-20 °C · Sealed in dry,Store in freezer, under -20°C
solubility
Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.

Safety & regulation

GHS classification

GHS Classification · 6 items

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.

Hazard information

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

Safety data

wgk
3
hs_code
29334900
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
safety_code
24/25

Chemistry & industry

Applications

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

Suppliers100 total

北京华美互利生物化工010-56205725 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
江苏吉泰肽业科技有限公司051580855088 18762539991 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

Related reactions

2 records

Compound notes

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