FMOC-HIS(MMT)-OH supplier | CasNO.133367-33-6

Name
FMOC-HIS(MMT)-OH
EINECS
CAS No. 133367-33-6
Density 1.247g/cm³
Solubility
Melting Point
Formula C₄₁H₃₅N₃O₅
Boiling Point 835.665 °C at 760 mmHg
Molecular Weight 649.73
Flash Point 459.194 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms N-ALPHA-FMOC-NIM-(4-METHOXYTRITYL)-L-HISTIDINE;N-ALPHA-(9-FLUORENYLMETHYLOXYCARBONYL)-N-IM-P-METHOXYTRITYL-L-HISTIDINE;N-ALPHA-(9-FLUORENYLMETHOXYCARBONYL)-N-TAU-MONOMETHOXYTRITYL-L-HISTIDINE;N-ALPHA-(9-FLUORENYLMETHOXYCARBONYL)-N-TAU-4-METHOXYTRITYL-L-HISTIDINE;FMOC-L-HIS(MMT)-OH;FMOC-HIS(MEOTRT)-OH;FMOC-HIS(MMT)-OH;FMOC-NIM-(4-METHOXYTRITYL)-L-HISTIDINE
PSA 102.68000
LogP 7.65720

Synthetic route

: 29022-11-5
N-(fluoren-9-ylmethoxycarbonyl)glycine

: 68858-20-8
Fmoc-Val-OH

: 35661-60-0
Fmoc-Leu-OH

: 133367-33-6
Fmoc-His(Mmt)-OH

: C34H39N4O7PolS

: 71989-33-8
Fmoc-Ser(tBu)-OH

: Val-Gly-Gly-Leu-Ser-His-Arg

Conditions

Conditions	Yield
Stage #1: C34H39N4O7PolS With piperidine In N,N-dimethyl-formamide 2-chlorotrityl chloride resin; Stage #2: Fmoc-His(Mmt)-OH 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 for 1h; 2-chlorotrityl chloride resin; Stage #3: N-(fluoren-9-ylmethoxycarbonyl)glycine; Fmoc-Val-OH; Fmoc-Leu-OH; Fmoc-Ser(tBu)-OH Further stages;	26%

Yield

Stage #1: C34H39N4O7PolS With piperidine In N,N-dimethyl-formamide 2-chlorotrityl chloride resin;
Stage #2: Fmoc-His(Mmt)-OH 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 for 1h; 2-chlorotrityl chloride resin;
Stage #3: N-(fluoren-9-ylmethoxycarbonyl)glycine; Fmoc-Val-OH; Fmoc-Leu-OH; Fmoc-Ser(tBu)-OH Further stages;

26%

...Expand

: aminomethyl-terminated Tentagel resin

: 72-18-4
L-valine

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

: 133367-33-6
Fmoc-His(Mmt)-OH

: 133180-01-5
Fmoc-O-trityl-l-threonine

: 110637-44-0
(2S)-N-allyloxycarbonyl-L-proline

: 68858-21-9
[4-(hydroxymethyl)phenoxy]acetic acid

: 111061-56-4
Fmoc-Ser(Trt)-OH

: 56-40-6
glycine

: 112257-05-3
(N-tritylaminooxy)acetic acid

: 1616473-90-5
C38H60N12O14

Conditions

Conditions	Yield
Stage #1: aminomethyl-terminated Tentagel resin; [4-(hydroxymethyl)phenoxy]acetic acid With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In N,N-dimethyl-formamide for 2h; aminomethyl polyethylene glycol polyacrylamide resin; Automated synthesizer; Stage #2: N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-alanine With dmap; dicyclohexyl-carbodiimide In N,N-dimethyl-formamide for 2h; aminomethyl polyethylene glycol polyacrylamide resin; Automated synthesizer; Stage #3: L-valine; N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-alanine; Fmoc-His(Mmt)-OH; Fmoc-O-trityl-l-threonine; (2S)-N-allyloxycarbonyl-L-proline; Fmoc-Ser(Trt)-OH; glycine; (N-tritylaminooxy)acetic acid Further stages;

Yield

Stage #1: aminomethyl-terminated Tentagel resin; [4-(hydroxymethyl)phenoxy]acetic acid With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In N,N-dimethyl-formamide for 2h; aminomethyl polyethylene glycol polyacrylamide resin; Automated synthesizer;
Stage #2: N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-alanine With dmap; dicyclohexyl-carbodiimide In N,N-dimethyl-formamide for 2h; aminomethyl polyethylene glycol polyacrylamide resin; Automated synthesizer;
Stage #3: L-valine; N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-alanine; Fmoc-His(Mmt)-OH; Fmoc-O-trityl-l-threonine; (2S)-N-allyloxycarbonyl-L-proline; Fmoc-Ser(Trt)-OH; glycine; (N-tritylaminooxy)acetic acid Further stages;

...Expand

: 29022-11-5
N-(fluoren-9-ylmethoxycarbonyl)glycine

: 133367-33-6
Fmoc-His(Mmt)-OH

: Fmoc-Asp-OAllyl

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

: 71989-23-6
Fmoc-Ile-OH

: 71989-20-3
N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-glutamine

: Fmoc-L-ArgNO2

: 143824-78-6
3-[(S)-2-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]indole-1-carboxylic acid tert-butyl ester

: C56H77N19O18

Conditions

Conditions	Yield
Stage #1: Fmoc-Asp-OAllyl With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 0.833333h; Stage #2: With piperidine In N,N-dimethyl-formamide at 20℃; for 0.183333h; Stage #3: N-(fluoren-9-ylmethoxycarbonyl)glycine; Fmoc-His(Mmt)-OH; N-Fmoc L-Phe; Fmoc-Ile-OH; N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-glutamine; Fmoc-L-ArgNO2; 3-[(S)-2-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]indole-1-carboxylic acid tert-butyl ester Further stages;

Yield

Stage #1: Fmoc-Asp-OAllyl With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 0.833333h;
Stage #2: With piperidine In N,N-dimethyl-formamide at 20℃; for 0.183333h;
Stage #3: N-(fluoren-9-ylmethoxycarbonyl)glycine; Fmoc-His(Mmt)-OH; N-Fmoc L-Phe; Fmoc-Ile-OH; N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-glutamine; Fmoc-L-ArgNO2; 3-[(S)-2-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]indole-1-carboxylic acid tert-butyl ester Further stages;

...Expand

: 29022-11-5
N-(fluoren-9-ylmethoxycarbonyl)glycine

: 133367-33-6
Fmoc-His(Mmt)-OH

: Fmoc-Trp(BODIPY)-OH

: Fmoc-Asp-OAllyl

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

: 71989-23-6
Fmoc-Ile-OH

: 71989-20-3
N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-glutamine

: Fmoc-L-ArgNO2

: C75H94BF2N21O18

Conditions

Conditions	Yield
Stage #1: Fmoc-Asp-OAllyl With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 0.833333h; Stage #2: With piperidine In N,N-dimethyl-formamide at 20℃; for 0.183333h; Stage #3: N-(fluoren-9-ylmethoxycarbonyl)glycine; Fmoc-His(Mmt)-OH; Fmoc-Trp(BODIPY)-OH; N-Fmoc L-Phe; Fmoc-Ile-OH; N2-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-glutamine; Fmoc-L-ArgNO2 Further stages;

...Expand

FMOC-HIS(MMT)-OH Specification

The FMOC-HIS(MMT)-OH, with CAS registry number 133367-33-6, belongs to the following product categories: (1)Amino Acids; (2)Fmoc-Amino Acids and Derivatives; (3)Fmoc-Amino acid series. It has the systematic name of (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[1-[(4-methoxyphenyl)-diphenyl-methyl]imidazol-4-yl]propanoic acid. This chemical should be stored at the temperature of 0°C.

Physical properties of FMOC-HIS(MMT)-OH: (1)ACD/LogP: 5.97; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 3.492; (4)ACD/LogD (pH 7.4): 2.674; (5)ACD/BCF (pH 5.5): 67.516; (6)ACD/BCF (pH 7.4): 10.253; (7)ACD/KOC (pH 5.5): 140.212; (8)ACD/KOC (pH 7.4): 21.293; (9)#H bond acceptors: 8; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 102.68 Å²; (13)Index of Refraction: 1.647; (14)Molar Refractivity: 189.412 cm³; (15)Molar Volume: 520.988 cm³; (16)Polarizability: 75.089×10^-24cm³; (17)Surface Tension: 50.692 dyne/cm; (18)Density: 1.247 g/cm³; (19)Flash Point: 459.194 °C; (20)Enthalpy of Vaporization: 127.285 kJ/mol; (21)Boiling Point: 835.665 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1ccc(cc1)C(c2ccccc2)(c3ccccc3)n4cc(nc4)C[C@@H](C(=O)O)NC(=O)OCC5c6ccccc6-c7c5cccc7
(2)InChI: InChI=1/C41H35N3O5/c1-48-32-22-20-30(21-23-32)41(28-12-4-2-5-13-28,29-14-6-3-7-15-29)44-25-31(42-27-44)24-38(39(45)46)43-40(47)49-26-37-35-18-10-8-16-33(35)34-17-9-11-19-36(34)37/h2-23,25,27,37-38H,24,26H2,1H3,(H,43,47)(H,45,46)/t38-/m0/s1
(3)InChIKey: RWXYQHDPFNGLFW-LHEWISCIBH
(4)Std. InChI: InChI=1S/C41H35N3O5/c1-48-32-22-20-30(21-23-32)41(28-12-4-2-5-13-28,29-14-6-3-7-15-29)44-25-31(42-27-44)24-38(39(45)46)43-40(47)49-26-37-35-18-10-8-16-33(35)34-17-9-11-19-36(34)37/h2-23,25,27,37-38H,24,26H2,1H3,(H,43,47)(H,45,46)/t38-/m0/s1
(5)Std. InChIKey: RWXYQHDPFNGLFW-LHEWISCISA-N

Product Name

FMOC-HIS(MMT)-OH

Synthetic route

FMOC-HIS(MMT)-OH Specification

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