CAS No.214475-53-3,4-(FMOC-HYDRAZINO)-BENZOIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	214475-53-3
Name:	4-(FMOC-HYDRAZINO)-BENZOIC ACID
Article Data:	2

Formula:	C₂₂H₁₈N₂O₄
Molecular Weight:	374.396
Synonyms:	4-(2-Fmoc-hydrazino)benzoic acid;4-[N'-(9H-fluoren-9-ylmethoxycarbonyl)-hydrazino]-benzoic acid;4-{[(Fluoren-9-ylmethoxy)carbonylamino]amino}benzoic acid;
Density:	1.363 g/cm³
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	87.66000
LogP:	4.71430

Synthetic route

: 28920-43-6
(fluorenylmethoxy)carbonyl chloride

: 619-67-0
4-Hydrazinobenzoic acid

: 214475-53-3
4-(Fmoc-hydrazino)-benzoic acid

Conditions

Conditions	Yield
With sodium hydrogencarbonate In 1,4-dioxane	75%

: (S)-2-Amino-3-(4-chloro-phenyl)-propionic acid benzhydryl ester

: 214475-53-3
4-(Fmoc-hydrazino)-benzoic acid

: (S)-3-(4-Chloro-phenyl)-2-{4-[N'-(9H-fluoren-9-ylmethoxycarbonyl)-hydrazino]-benzoylamino}-propionic acid benzhydryl ester

Conditions

Conditions	Yield
With benzotriazol-1-ol; dicyclohexyl-carbodiimide In N,N-dimethyl-formamide for 48h; Ambient temperature;

: 214475-53-3
4-(Fmoc-hydrazino)-benzoic acid

: (S)-3-(4-Chloro-phenyl)-2-{4-[N'-(9H-fluoren-9-ylmethoxycarbonyl)-hydrazino]-benzoylamino}-propionic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: DCCI, HOBt / dimethylformamide / 48 h / Ambient temperature 2: TFA, anisole / 2.5 h / Ambient temperature View Scheme

: 33069-62-4
taxol

: 214475-53-3
4-(Fmoc-hydrazino)-benzoic acid

: C69H67N3O17

Conditions

Conditions	Yield
With dmap; diisopropyl-carbodiimide In DMF (N,N-dimethyl-formamide)

: polyethylene glycol polyamide resin

: 214475-53-3
4-(Fmoc-hydrazino)-benzoic acid

: C22H18N3O3Pol

Conditions

Conditions	Yield
With benzotriazol-1-ol; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 20℃; for 13h; Inert atmosphere; solid phase reaction;

: 68858-20-8
Fmoc-Val-OH

: 35661-60-0
Fmoc-Leu-OH

: 35661-39-3
N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-alanine

: C26H25N6O5Pol

: 1571865-26-3
C50H45NO15

: 35661-40-6
N-Fmoc L-Phe

: 214475-53-3
4-(Fmoc-hydrazino)-benzoic acid

: C68H74N7O16Pol

Conditions

Conditions	Yield
Stage #1: C26H25N6O5Pol With piperidine In N,N-dimethyl-formamide Stage #2: 4-(Fmoc-hydrazino)-benzoic acid With (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; benzotriazol-1-ol; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide TenGel NH2 resin; Stage #3: Fmoc-Val-OH; Fmoc-Leu-OH; N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-alanine; C50H45NO15; N-Fmoc L-Phe Further stages;

Yield

Stage #1: C26H25N6O5Pol With piperidine In N,N-dimethyl-formamide
Stage #2: 4-(Fmoc-hydrazino)-benzoic acid With (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; benzotriazol-1-ol; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide TenGel NH2 resin;
Stage #3: Fmoc-Val-OH; Fmoc-Leu-OH; N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-alanine; C50H45NO15; N-Fmoc L-Phe Further stages;

...Expand

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Specification

The Hydrazinecarboxylicacid, 2-(4-carboxyphenyl)-, 1-(9H-fluoren-9-ylmethyl) ester, with the CAS registry number 214475-53-3, is also known as 4-(2-Fmoc-hydrazino)benzoic acid. It belongs to the product categories of Aromatic Amino Acids; Peptide Synthesis; Unnatural Amino Acid Derivatives. This chemical's molecular formula is C₂₂H₁₈N₂O₄ and molecular weight is 374.39. What's more, its systematic name is 4-{2-[(9H-fluoren-9-ylmethoxy)carbonyl]hydrazino}benzoic acid. Its storage temperature is 2 - 8°C.

Physical properties of Hydrazinecarboxylicacid, 2-(4-carboxyphenyl)-, 1-(9H-fluoren-9-ylmethyl) ester are: (1)ACD/LogP: 4.47 ; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.57; (4)ACD/LogD (pH 7.4): 1.87; (5)ACD/BCF (pH 5.5): 184.92; (6)ACD/BCF (pH 7.4): 3.66; (7)ACD/KOC (pH 5.5): 810.5; (8)ACD/KOC (pH 7.4): 16.03; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 59.08 Å²; (13)Index of Refraction: 1.687; (14)Molar Refractivity: 104.6 cm³; (15)Molar Volume: 274.5 cm³; (16)Polarizability: 41.46×10^-24cm³; (17)Surface Tension: 65 dyne/cm; (18)Density: 1.363 g/cm³.

Preparation of Hydrazinecarboxylicacid, 2-(4-carboxyphenyl)-, 1-(9H-fluoren-9-ylmethyl) ester: this chemical can be prepared by 4-hydrazino-benzoic acid and 9H-fluoren-9-ylmethyl chloroformate. This reaction will need reagent aq. sodium bicarbonate and solvent dioxane. The yield is about 75%.

Hydrazinecarboxylicacid, 2-(4-carboxyphenyl)-, 1-(9H-fluoren-9-ylmethyl) ester can be prepared by 4-hydrazino-benzoic acid and 9H-fluoren-9-ylmethyl chloroformate

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ccc(cc1)NNC(=O)OCC4c2ccccc2c3c4cccc3
(2)Std. InChI: InChI=1S/C22H18N2O4/c25-21(26)14-9-11-15(12-10-14)23-24-22(27)28-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-12,20,23H,13H2,(H,24,27)(H,25,26)
(3)Std. InChIKey: MLVJMSRGLQCZDE-UHFFFAOYSA-N