Benzyl N-(4-aminobutyl)carbamate hydrochloride

Base Information

• Chemical Name: Benzyl N-(4-aminobutyl)carbamate hydrochloride
• CAS No.: 18807-73-3
• Molecular Formula: C12H18 N2 O2 . Cl H
• Molecular Weight: 258.748
• Hs Code.: 2924299090
• European Community (EC) Number: 623-743-8
• DSSTox Substance ID: DTXSID20519482
• Mol file: 18807-73-3.mol

Synonyms:18807-73-3;Benzyl N-(4-aminobutyl)carbamate hydrochloride;N-Carbobenzoxy-1,4-diaminobutane Hydrochloride;Benzyl (4-aminobutyl)carbamate hydrochloride;N-Carbobenzoxy-1,4-diaminobutane HCl;benzyl N-(4-aminobutyl)carbamate;hydrochloride;N-Z-1,4-Butanediamine hydrochloride;N-Cbz-1,4-diaminobutane HCl;N-Cbz-1,4-diaminobutane Hydrochloride;Carbamic acid, N-(4-aminobutyl)-, phenylmethyl ester, hydrochloride (1:1);Z-DAB.HCl;Benzyl 4-aminobutylcarbamate hydrochloride;SCHEMBL547893;N-(4-Aminobutyl)carbamic Acid Benzyl Ester Hydrochloride;AMY7541;DTXSID20519482;Z-NH-(CH2)4-NH2.HCl;benzyl (4-aminobutyl)carbamate hcl;Carbamic acid, (4-aminobutyl)-, phenylmethyl ester, monohydrochloride;MFCD00270149;n-cbz-1,4-diaminobutanehydrochloride;AKOS015915989;BS-21998;CS-0149909;C78005;EN300-7373050;4-(phenylmethoxycarbonylamino)butylazanium;chloride;A813209;BENZYLN-(4-AMINOBUTYL)CARBAMATEHYDROCHLORIDE;J-012114;N1-Benzyloxycarbonyl-1,4-diaminobutane hydrochloride;Benzyl (4-aminobutyl)carbamate--hydrogen chloride (1/1);N-Z-1,4-Butanediamine hydrochloride, >=98.0% (AT);N-(4-Aminobutyl)-Carbamic Acid Phenylmethyl Ester Hydrochloride;Carbamic acid,N-(4-aminobutyl)-,phenylmethyl ester,hydrochloride(1:1)

Chemical Property of Benzyl N-(4-aminobutyl)carbamate hydrochloride

Chemical Property:

• Vapor Pressure: 3.99E-06mmHg at 25°C
• Melting Point: 192-196 °C
• Refractive Index: 1.531
• Boiling Point: 384.8°C at 760 mmHg
• Flash Point: 186.5°C
• PSA: 64.35000
• Density: 1.088g/cm³
• LogP: 3.54490
• Storage Temp.: 2-8°C
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 258.1135055
• Heavy Atom Count: 17
• Complexity: 192

Purity/Quality:

97% ^*data from raw suppliers

N-Carbobenzoxy-1,4-diaminobutane Hydrochloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC(=O)NCCCCN.Cl
• Uses: N-Carbobenzoxy-1,4-diaminobutane HCl is used in the synthetic preparation of pyrazolyl glucopyranoside and galactopyranoside derivative inhibitors of human sodium-glucose cotransporter 1 (SGLT1) for preventives or therapeutics for diseases related to hyperglycemia or galactosemia.

Technology Process of Benzyl N-(4-aminobutyl)carbamate hydrochloride

There total 5 articles about Benzyl N-(4-aminobutyl)carbamate hydrochloride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 95.0%

Z-NH-(CH2)4-NH-Boc (62146-59-2) → N-benzyloxycarbonyl-1,4-butanediamine hydrochloride (18807-73-3)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; Inert atmosphere;

Reference yield: 86.0%

4-azido-N-benzyloxycarbonyl-1-butylamine (123348-73-2) → N-benzyloxycarbonyl-1,4-butanediamine hydrochloride (18807-73-3)

Guidance literature:

With triphenylphosphine; In tetrahydrofuran; water; at 20 ℃; for 24h;

DOI:10.1016/S0040-4039(01)00282-9

Reference yield: 76.0%

benzyl chloroformate (501-53-1,94274-21-2) + 1,4-diaminobutane (110-60-1) → N-benzyloxycarbonyl-1,4-butanediamine hydrochloride (18807-73-3)

Guidance literature:

In dichloromethane; at 0 - 20 ℃;

DOI:10.1002/ejoc.202101155

upstream raw materials:

15N,15N'-bis(benzuloxycarbonyl)putrescine

4-azido-N-benzyloxycarbonyl-1-butylamine

N-(Benzyloxycarbonyloxy)succinimide

Z-NH-(CH₂)4-NH-Boc

Downstream raw materials:

1-(4-aminobutyl)guanidine

N¹-(carbobenzyloxy)-N⁴-<3-<(carbobenzyloxy)amino>butyryl>-1,4-diaminobutane

N-<3-(1-uracilyl)propyl>-N'-carbobenzoxytetramethylenediamine hydrobromide

N-Benzyloxycarbonyl-N^G-nitroagmatin