2,2-Difluorocyclopropylamine hydrochloride

Base Information

• Chemical Name: 2,2-Difluorocyclopropylamine hydrochloride
• CAS No.: 105614-25-3
• Molecular Formula: C3H5 F2 N . ClH
• Molecular Weight: 129.537
• Hs Code.: 2921490090
• European Community (EC) Number: 681-285-4
• DSSTox Substance ID: DTXSID80603154
• Mol file: 105614-25-3.mol

Synonyms:105614-25-3;2,2-Difluorocyclopropylamine hydrochloride;2,2-difluorocyclopropanamine hydrochloride;2,2-difluorocyclopropan-1-amine hydrochloride;2,2-DIFLUOROCYCLOPROP-1-YLAMINE HYDROCHLORIDE;2,2-difluorocyclopropylamine hcl;2,2-difluorocyclopropan-1-amine;hydrochloride;MFCD07777150;2,2-Difluoro-cyclopropylamine hydrochloride;2,2-Difluorocyclopropylaminehydrochloride;(R)-2,2-Difluorocyclopropanamine hydrochloride;MFCD31731371;MFCD31805261;Cyclopropanamine, 2,2-difluoro-, hydrochloride;(1R)-2,2-Difluorocyclopropanamine hydrochloride;(1S)-2,2-difluorocyclopropanamine;SCHEMBL1700851;DTXSID80603154;WSSNWLHFBOKGGL-UHFFFAOYSA-N;BCP34207;2,2-Difluorocyclopropan-1-amine HCl;AKOS005064129;CS-W000385;SB30419;AS-39522;SY058139;SY344566;SY344570;DB-005810;(S)-2,2-Difluorocyclopropanamine Hydrochloride;EN300-1223410;A801280;2,2-Difluorocyclopropanamine hydrochloride, AldrichCPR;F2147-3887;2,2-Difluorocyclopropan-1-amine--hydrogen chloride (1/1)

Chemical Property of 2,2-Difluorocyclopropylamine hydrochloride

Chemical Property:

• Vapor Pressure: 23mmHg at 25°C
• Melting Point: ca 145℃
• Boiling Point: 367.4°Cat760mmHg
• Flash Point: 176°C
• PSA: 26.02000
• Density: 1.365g/cm³
• LogP: 1.85500
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive.: Hygroscopic
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 129.0156832
• Heavy Atom Count: 7
• Complexity: 71.2

Purity/Quality:

98%, ^*data from raw suppliers

2,2-DifluorocyclopropylamineHydrochloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T,Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C1(F)F)N.Cl

Technology Process of 2,2-Difluorocyclopropylamine hydrochloride

There total 1 articles about 2,2-Difluorocyclopropylamine 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: 83.0%

1,1-Difluoro-2-isocyanato-cyclopropane (130340-08-8) → 2,2-difluorocyclopropan-1-amine hydrochloride (105614-25-3)

Guidance literature:

With hydrogenchloride; at 60 ℃;

DOI:10.1016/S0022-1139(00)80369-3

Reference yield: 47.0%

(3R)-3-{[(tert-butoxy)carbonyl]amino}-5-[(4-chlorophenyl)methyl]-8-fluoro-4-oxo-2 3,4,5-tetrahydro-1,5-benzothiazepine-7-carboxylic acid + 2,2-difluorocyclopropan-1-amine hydrochloride (105614-25-3) → C25H25ClF3N3O4S

Guidance literature:

(3R)-3-{[(tert-butoxy)carbonyl]amino}-5-[(4-chlorophenyl)methyl]-8-fluoro-4-oxo-2 3,4,5-tetrahydro-1,5-benzothiazepine-7-carboxylic 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; at 0 ℃;

2,2-difluorocyclopropan-1-amine hydrochloride; In N,N-dimethyl-formamide; at 0 - 20 ℃;

Reference yield: 22.98%

1-benzyl-5-(methylcarbamoyl)-6-oxo-1,6-dihydropyridine-3-carboxylic acid + 2,2-difluorocyclopropan-1-amine hydrochloride (105614-25-3) → (+/-)-1-benzyl-N5-(2,2-difluorocyclopropyl)-N3-methyl-2-oxo-1,2-dihydropyridine-3,5-dicarboxamide

Guidance literature:

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 3h; Inert atmosphere;

upstream raw materials:

1,1-Difluoro-2-isocyanato-cyclopropane

Refernces